A0A087XPT2_POEFO Loading...

Zinc finger protein 367

AlphaFold DB , UniProt , Accession A0A087XPT2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low33.3Very low248 Ų248156.2 Ų156.2100%1.22283%0.825SS**  0115.10-72.1173167.300106.5
2A34.3Very low32.9Very low92 Ų92152.9 Ų152.976%0.7682%0.822SS**  trans-84.3135.6-174.100000109.5
3D33.4Very low32.7Very low168 Ų168152.8 Ų152.890%0.89882%0.821SS**  trans-125.7107.5162.7-82.5-41.1000109.6
4S36.9Very low32.5Very low104 Ų104153.3 Ų153.373%0.72782%0.823SS**  trans-67.6128.1176.5-56.20000111.4
5K37.6Very low32.3Very low205 Ų205150.1 Ų150.189%0.89182%0.818SS**  trans-127.2103.2158.6-76.5-177.5-178.6176.40109.3
6H32.2Very low32.5Very low170 Ų170148.8 Ų148.879%0.78782%0.819SS**  trans-66135.6167.4-75.1-84.7000110.6
7P35.5Very low32.7Very low115 Ų115152 Ų15275%0.74782%0.823SS**  trans-81.5122.3160.729.3-28.6000110.3V9P7-V9 PolarHBondContact O-N 3.13Å
8H32.9Very low32.6Very low186 Ų186156.9 Ų156.986%0.86183%0.827SS**  trans-64.3114.6167.9-83.7-88.9000110.2I10H8-I10 PolarHBondContact O-N 3.4Å
9V30Very low32.3Very low109 Ų109155.6 Ų155.666%0.66183%0.826SS**  trans-76.5109.8168.5179.80000108.2P7 F11P7-V9 PolarHBondContact O-N 3.13Å; V9-F11 HydrophobicContact CB-CE2 4.38Å; V9-F11 HydrophobicContact CG1-CD2 3.69Å; V9-F11 HydrophobicContact CG1-CE2 3.57Å; V9-F11 HydrophobicContact CG1-CG 4.44Å; V9-F11 HydrophobicContact CG1-CZ 4.23Å
10I32.5Very low32Very low149 Ų149155.5 Ų155.576%0.76483%0.825SS**  trans-86.8106.3164.2-61.4179.8000107.2H8 C12H8-I10 PolarHBondContact O-N 3.4Å; I10-C12 PolarHBondContact O-N 3.27Å
11F25.6Very low31.8Very low172 Ų172154 Ų15475%0.75482%0.821SS**  trans-69.8111.6167.6-81.9-92.7000109.6V9V9-F11 HydrophobicContact CB-CE2 4.38Å; V9-F11 HydrophobicContact CG1-CD2 3.69Å; V9-F11 HydrophobicContact CG1-CE2 3.57Å; V9-F11 HydrophobicContact CG1-CG 4.44Å; V9-F11 HydrophobicContact CG1-CZ 4.23Å
12C28.8Very low31.5Very low117 Ų117146.5 Ų146.579%0.79179%0.793SS**  trans-91.994.3160.9-78.70000108.6I10 D14I10-C12 PolarHBondContact O-N 3.27Å; C12-D14 PolarHBondContact O-N 2.7Å
13N30.6Very low31.3Very low152 Ų152148.1 Ų148.181%0.81379%0.793SS**  trans-74102.3160.4-104.7-17000108.4
14D30.2Very low31.1Very low159 Ų159146.9 Ų146.985%0.8579%0.786SS**  trans171.990.5135.2-96.7-36.8000108.6C12C12-D14 PolarHBondContact O-N 2.7Å
15S28.6Very low30.9Very low106 Ų106151.2 Ų151.274%0.74179%0.791SS**  trans-119.8129.5162.1-74.30000108.3K17S15-K17 PolarHBondContact O-N 2.94Å
16P35.7Very low30.5Very low128 Ų128146.8 Ų146.883%0.83178%0.782SS**  trans-71.5120.3154.429-27.6000108R18P16-R18 PolarHBondContact O-N 3.05Å
17K36.6Very low30.5Very low204 Ų204144.9 Ų144.989%0.88778%0.784SS**  trans-45.6124179.4-60171.1-179.1177.80111.9S15S15-K17 PolarHBondContact O-N 2.94Å
18R30.3Very low30.3Very low240 Ų240147.4 Ų147.491%0.90679%0.789SS**  trans-136.2117151.5-92.4-170.5171.5-176.6-3.7108.9P16 L20P16-R18 PolarHBondContact O-N 3.05Å; R18-L20 PolarHBondContact O-N 2.78Å
19V27.4Very low30.2Very low132 Ų132147.9 Ų147.980%0.879%0.789SS**  trans-59.5120.7173.2176.30000108.7V21V19-V21 HydrophobicContact CG1-CG2 4.41Å
20L25.8Very low30.2Very low153 Ų153148.9 Ų148.980%0.80180%0.798SS**  trans-81.2116160.1-101.7119.8000107.2R18 S22R18-L20 PolarHBondContact O-N 2.78Å; L20-S22 PolarHBondContact O-N 2.87Å
21V27.2Very low29.9Very low124 Ų124153.5 Ų153.575%0.75281%0.806SS**  trans-79105.2162.2176.30000106.6V19V19-V21 HydrophobicContact CG1-CG2 4.41Å
22S29.1Very low30.1Very low91 Ų91154.7 Ų154.764%0.63681%0.811SS**  trans-79.8114169.2-55.80000108.7L20 I24L20-S22 PolarHBondContact O-N 2.87Å; S22-I24 PolarHBondContact O-N 2.92Å; S22-I24 VanDerWaalsContact O-N 3.15Å
23V29.6Very low30.2Very low126 Ų126156.4 Ų156.476%0.76481%0.811SS**  trans-71.3101.6168.9176.60000107.9
24I29.8Very low30Very low143 Ų143158.6 Ų158.673%0.73382%0.816SS**  trans-91.5109.9163.8-60.1176.5000106.7S22 T26S22-I24 PolarHBondContact O-N 2.92Å; S22-I24 VanDerWaalsContact O-N 3.15Å; I24-T26 PolarHBondContact O-N 3.09Å
25K32.7Very low29.9Very low195 Ų195156.3 Ų156.385%0.84881%0.808SS**  trans-78.2108.1166.6-102.2178.5173.6174.50108.4
26T29.6Very low29.9Very low112 Ų112159.8 Ų159.869%0.68782%0.817SS**  trans-144.7146.8148.648.70000109.9I24I24-T26 PolarHBondContact O-N 3.09Å
27P31.5Very low29.6Very low129 Ų129160 Ų16084%0.83882%0.816SS**  trans-90.1131.9-162.134.4-30.9000111.6
28I30.9Very low29.6Very low168 Ų168155.8 Ų155.886%0.86281%0.81SS**  trans-115123.6170.7-56.5177.2000107.9
29K30.9Very low29.4Very low196 Ų196151.5 Ų151.585%0.85281%0.811SS**  trans-62.6150.1-179.9-72.5175.3177.9176.90111.8
30P31.1Very low29.6Very low130 Ų130150.2 Ų150.284%0.84481%0.808SS**  trans-82.3142.2-176.133.1-33.2000111.9
31R26.8Very low30.3Very low247 Ų247149 Ų14993%0.93281%0.809SS**  trans-134116.2164-148.9178.9-173.8-156.80.7110.6
32K28.1Very low30.3Very low197 Ų197146.1 Ų146.186%0.85780%0.804SS**  trans16.7122.1164.8-80.4-179.3172.2-176.80121.3
33L30.7Very low30.2Very low152 Ų152151.4 Ų151.480%0.79682%0.816SS**  trans-4.2128133.6-111.871.4000116.5
34E27.8Very low30.1Very low199 Ų199149.6 Ų149.693%0.9381%0.809SS**  -138129.9128.8-72.7-160.9156.700110.3
35T27.8Very low30.1Very low111 Ų111149.8 Ų149.868%0.68181%0.811SS**  trans-78.2134.4178.1310000111.7
36L27.8Very low29.9Very low178 Ų178150 Ų15093%0.93281%0.813SS**  trans-140.3132.4145.7-72.8179.4000110.1
37T31Very low29.8Very low132 Ų132152.5 Ų152.581%0.8182%0.819SS**  trans-84.4173.2-171.736.40000112.8
38P35.9Very low29.8Very low116 Ų116152 Ų15275%0.75381%0.813SS**  trans-102.6164-146.639.3-33.9000114.3
39T26.6Very low29.5Very low150 Ų150152.6 Ų152.692%0.9281%0.806SS**  trans-135115.9155.4-30000108.8
40S30.8Very low29.6Very low106 Ų106148.1 Ų148.174%0.74180%0.796SS**  trans-121.1158.4166.1-160.20000104.5
41P40.7Very low29.4Very low128 Ų128153.5 Ų153.583%0.83180%0.8SS**  cis-138.9174.840.132.1-7.7000113.4
42G26.8Very low29.4Very low62 Ų62151 Ų15164%0.63980%0.796SS**  cis179.2-163.57.400000109.2
43F27.5Very low29.3Very low202 Ų202152.3 Ų152.389%0.88680%0.796SS**  trans89.584.1174.6-79.5-91.4000119.5
44S27.6Very low29.1Very low88 Ų88148.1 Ų148.162%0.61579%0.789SS**  29.5117.1125.761.10000121.2
45D29.6Very low29.1Very low147 Ų147147.4 Ų147.479%0.78679%0.786SS**  38.3117.1126-67.2-29.5000120.1
46F27.5Very low29.2Very low199 Ų199149.3 Ų149.387%0.87379%0.792SS**  -173.4103.8109.8-107.3-82.1000108.7V48F46-V48 PolarHBondContact O-N 2.68Å; F46-V48 VanDerWaalsContact O-N 3.09Å
47M27.8Very low29.2Very low165 Ų165145.3 Ų145.381%0.81379%0.785SS**  trans-72.998.5168.9-77.7-160.5-173.400109.9Y49M47-Y49 HydrophobicContact SD-CE2 4.44Å
48V30.9Very low29.2Very low119 Ų119147.5 Ų147.572%0.72179%0.785SS**  trans-81.4117.9157177.10000107.1F46 P50F46-V48 PolarHBondContact O-N 2.68Å; F46-V48 VanDerWaalsContact O-N 3.09Å; V48-P50 WeakPolarHBondContact O-CD 3.1Å
49Y26.6Very low28.9Very low181 Ų181148.4 Ų148.471%0.7178%0.784SS**  trans-84.4108.8165.4-79.3-88000109.2M47 W51M47-Y49 HydrophobicContact SD-CE2 4.44Å; Y49-W51 PolarHBondContact O-N 3.13Å
50P31.6Very low29Very low101 Ų101146.8 Ų146.866%0.65677%0.773SS**  trans-80.5108.1166.831.6-32.7000109.4V48 K52V48-P50 WeakPolarHBondContact O-CD 3.1Å; P50-K52 VanDerWaalsContact C-N 3.31Å; P50-K52 PolarHBondContact O-N 2.92Å
51W27.7Very low28.7Very low243 Ų243147.4 Ų147.492%0.9277%0.773SS**  trans-75.186.9166.6-74.843.4000108.2Y49Y49-W51 PolarHBondContact O-N 3.13Å
52K26Very low28.1Very low196 Ų196148.1 Ų148.185%0.85277%0.769SS**  trans-76.9120.3171.8-80.4-160.5173.7-171.60110.4P50P50-K52 VanDerWaalsContact C-N 3.31Å; P50-K52 PolarHBondContact O-N 2.92Å
53W26Very low28Very low223 Ų223150.7 Ų150.785%0.84578%0.777SS**  trans-65.5125.2165.7-161.7-55.7000108.2E55W53-E55 PolarHBondContact O-N 3.35Å
54G26.5Very low28.5Very low64 Ų64146.9 Ų146.966%0.6677%0.773SS**  trans-70110.5176.300000111.1
55E28.3Very low28.4Very low185 Ų185146.2 Ų146.286%0.86478%0.78SS**  trans-77.6113.8159.6-67.1172.2144.400107.7W53 A57W53-E55 PolarHBondContact O-N 3.35Å; E55-A57 PolarHBondContact O-N 3.17Å
56N29.1Very low28.3Very low151 Ų151145.3 Ų145.381%0.80779%0.785SS**  trans-83.389.9165.7-77.2-11.2000107.9H58N56-H58 PolarHBondContact O-N 2.9Å
57A28.2Very low28.3Very low94 Ų94140.6 Ų140.678%0.77778%0.783SS**  trans-65.3119.6156.500000108.1E55 N59E55-A57 PolarHBondContact O-N 3.17Å; A57-N59 PolarHBondContact O-N 2.89Å; A57-N59 VanDerWaalsContact O-N 3.14Å
58H32.5Very low28.4Very low178 Ų178139 Ų13982%0.82479%0.788SS**  trans-70.2105.3165.4-77.3-83.5000108.1N56 V60N56-H58 PolarHBondContact O-N 2.9Å; H58-V60 PolarHBondContact O-N 3.46Å
59N28.7Very low28.2Very low134 Ų134137 Ų13772%0.71779%0.792SS**  trans-69.3106.1163.4-178.76.8000108.2A57 T61A57-N59 PolarHBondContact O-N 2.89Å; A57-N59 VanDerWaalsContact O-N 3.14Å; N59-T61 PolarHBondContact O-N 3.35Å
60V27.9Very low28.3Very low116 Ų116133.5 Ų133.570%0.70380%0.8SS**  trans-80.199.7161.11750000106.2H58 L62H58-V60 PolarHBondContact O-N 3.46Å; V60-L62 HydrophobicContact CG1-CG 4.46Å; V60-L62 PolarHBondContact O-N 3.21Å; V60-L62 VanDerWaalsContact O-N 3.15Å
61T26.3Very low28Very low120 Ų120133.5 Ų133.574%0.73681%0.809SS**  trans-73.5103.3167.9-470000108.2N59N59-T61 PolarHBondContact O-N 3.35Å
62L26.8Very low28Very low143 Ų143127.5 Ų127.575%0.74980%0.804SS**  trans-78140.5158.9-75.3165000109.3V60V60-L62 HydrophobicContact CG1-CG 4.46Å; V60-L62 PolarHBondContact O-N 3.21Å; V60-L62 VanDerWaalsContact O-N 3.15Å
63S26.1Very low29Very low115 Ų115123.8 Ų123.880%0.80480%0.8SS**  trans156.5164.6133.6-71.70000111.2
64P36.2Very low29.3Very low122 Ų122120.2 Ų120.279%0.79280%0.803SS**  -123.7172.7-50.933.4-17000110.8
65G26.1Very low29.3Very low75 Ų75120.7 Ų120.777%0.77381%0.807SS**  trans-77.1-179-167.700000117.7
66S27.7Very low29.4Very low128 Ų128117.6 Ų117.690%0.89581%0.806SS**  trans-140115.3158.5-460000107.1
67A28.3Very low29.6Very low99 Ų99119.4 Ų119.482%0.81881%0.81SS**  trans-87147.717500000110.8
68S28.3Very low29.7Very low131 Ų131122 Ų12292%0.91682%0.816SS**  trans158.7132.3151.6-69.30000106.1
69G28Very low29.6Very low78 Ų78117.6 Ų117.680%0.80481%0.811SS**  cis-166175.413.400000109.8
70A27.3Very low29.7Very low108 Ų108122.5 Ų122.589%0.89382%0.819SS**  trans-73153.9-164.400000116.7
71A26.7Very low29.8Very low101 Ų101125.7 Ų125.784%0.83583%0.826SS**  -173.4131.1128.800000110.7
72S27.9Very low30Very low117 Ų117124 Ų12482%0.81883%0.825SS**  trans-89.9-163.9171.8-55.70000110.8
73P46.7Very low30.4Very low118 Ų118125.2 Ų125.277%0.76683%0.832SS**  -125.5155.8-96.337-18.8000113.9
74T31.3Very low30.7Very low148 Ų148125.8 Ų125.891%0.90883%0.831SS**  trans-147126.9155.6510000105.7
75G27.2Very low30.7Very low73 Ų73124.2 Ų124.275%0.75383%0.828SS**  cis109.286.929.500000107.5
76S31.4Very low31Very low120 Ų120126.7 Ų126.784%0.83983%0.831SS**  trans178.1106.8148.744.60000111.2
77Q32.6Very low31.2Very low190 Ų190125.7 Ų125.789%0.88882%0.823SS**  trans-63.5141.1158.1-62.8167.6-10.600109.3
78T30.6Very low32Very low149 Ų149126.5 Ų126.591%0.91482%0.82SS**  trans-141.4142.8135.248.40000108.4
79A29.5Very low32.6Very low85 Ų85126.8 Ų126.870%0.70281%0.811SS**  trans-111.5163.2-169.900000111
80R31.3Very low33Very low237 Ų237131.1 Ų131.189%0.89481%0.811SS**  trans74.8142.5166.9-52.2178.8169.3155.3-3.8112.7
81E29.6Very low33.3Very low182 Ų182134.4 Ų134.485%0.8581%0.812SS**  cis-156.4160.442.2-71.9173.6127.600113.5
82A30.3Very low33.8Very low85 Ų85137.7 Ų137.770%0.70281%0.807SS**  trans74.2105.613900000120.4T84A82-T84 PolarHBondContact O-N 3.15Å
83D34.7Very low34.2Very low168 Ų168139.7 Ų139.790%0.89881%0.809SS**  trans-36.3122.9144.4-59.4-71000113.2
84T33.9Very low33.5Very low128 Ų128137.3 Ų137.379%0.78581%0.805SS**  trans-143.6109.3153.6-62.60000107.3A82A82-T84 PolarHBondContact O-N 3.15Å
85A34.9Very low33.6Very low89 Ų89138 Ų13874%0.73680%0.801SS**PPolyproline II helixtrans-63.4133.8170.600000109.9S87A85-S87 PolarHBondContact O-N 3.02Å
86P33.9Very low34.2Very low127 Ų127145.7 Ų145.783%0.82581%0.808SS**PPolyproline II helixtrans-75.4126.1172.927.3-29.8000111
87S30.9Very low34.7Very low106 Ų106150.8 Ų150.874%0.74181%0.809SS**PPolyproline II helixtrans-56144.4172.6-174.30000112.4A85 D89A85-S87 PolarHBondContact O-N 3.02Å; S87-D89 PolarHBondContact O-N 3.5Å
88P45.4Very low34.9Very low117 Ų117144.7 Ų144.776%0.7680%0.797SS**SBendtrans-86.976.3-170.235.9-33.7000111.4
89D41.5Very low35.1Very low136 Ų136149 Ų14973%0.72780%0.797SS**  trans-156.773.9169.5-97.7-35.2000111.3S87S87-D89 PolarHBondContact O-N 3.5Å
90Q34.8Very low35.5Very low170 Ų170149.9 Ų149.979%0.79480%0.795SS**  trans-170.888.1149.8-76.2-38.8-48.100109.5
91I33.7Very low35.7Very low177 Ų177148.5 Ų148.591%0.90879%0.79SS**  trans-124.683.4157.1-53.5-178.9000107.5
92K38Very low36.5Very low170 Ų170144 Ų14474%0.73978%0.783SS**  trans-111.4129.1156.6-72-177.5-178.6176.20107.7
93D35.6Very low36.9Very low159 Ų159146.4 Ų146.485%0.8579%0.785SS**SBendtrans75.6108.5158.5-52.6-40.9000118.6
94G32.4Very low37.1Very low67 Ų67143.3 Ų143.369%0.69177%0.772SS**  trans149.950.9156.100000117R96G94-R96 PolarHBondContact O-N 3.13Å
95I34.2Very low37.6Very low162 Ų162143.4 Ų143.483%0.83177%0.772SS**  trans-67.782.1163.5-56.2177.7000108.2R97I95-R97 HydrophobicContact CG2-CG 4.26Å; I95-R97 PolarHBondContact O-N 3Å
96R38.2Very low38.3Very low236 Ų236150.6 Ų150.689%0.89178%0.78SS**  trans-63.8103.1159.6-84-173.2-91.1-142.5-3.8106.3G94 G98G94-R96 PolarHBondContact O-N 3.13Å; R96-G98 PolarHBondContact O-N 2.8Å
97R42.8Very low38.8Very low226 Ų226153 Ų15385%0.85378%0.78SS**  trans-65.871.5167.3-75.1-170.5-97.7-159.5-9.8109.5I95 R99I95-R97 HydrophobicContact CG2-CG 4.26Å; I95-R97 PolarHBondContact O-N 3Å; R97-R99 PolarHBondContact O-N 3.29Å
98G36Very low39.3Very low63 Ų63156 Ų15665%0.64979%0.787SS**PPolyproline II helixtrans-68.8116.5162.600000107.8R96 P100R96-G98 PolarHBondContact O-N 2.8Å; G98-P100 WeakPolarHBondContact O-CD 3.46Å
99R34.8Very low39.4Very low240 Ų240158.3 Ų158.391%0.90679%0.792SS**PPolyproline II helixtrans-63120.3167.7-179.4-172.4-87.6-128.10.7106.6R97R97-R99 PolarHBondContact O-N 3.29Å
100P38.7Very low39.4Very low103 Ų103156.6 Ų156.667%0.66979%0.79SS**PPolyproline II helixtrans-62.2143.2178.622.2-29.3000110.1G98G98-P100 WeakPolarHBondContact O-CD 3.46Å
101R35.9Very low40Very low208 Ų208158 Ų15879%0.78580%0.797SS**PPolyproline II helixtrans-59.4140.6174.5-142.7167.6169.5165.7-3.8107.8D103 T104R101-D103 PolarHBondContact O-N 2.94Å; R101-T104 PolarHBondContact O-N 3.24Å; R101-T104 PolarHBondContact O-OG1 3.02Å; R101-T104 VanDerWaalsContact O-OG1 3.07Å
102A46Very low40.6Very low86 Ų86153 Ų15371%0.71179%0.789SS**G310 helixtrans-62.4-7.3-16800000114.9
103D39Very low41.1Very low137 Ų137154 Ų15473%0.73380%0.796SS**G310 helixtrans-92.8-10.2-170-46.3-43.4000113.2R101R101-D103 PolarHBondContact O-N 2.94Å
104T39.2Very low41.4Very low102 Ų102152.6 Ų152.663%0.62679%0.794SS**G310 helixtrans-91.810.3-179.611.20000115R101 R106R101-T104 PolarHBondContact O-N 3.24Å; R101-T104 PolarHBondContact O-OG1 3.02Å; R101-T104 VanDerWaalsContact O-OG1 3.07Å; T104-R106 PolarHBondContact O-N 3.07Å
105V44.3Very low42.4Very low130 Ų130155 Ų15579%0.78880%0.8SS**THydrogen-bonded Turntrans-84.745.1-177.2-164.20000112
106R49.3Very low43.6Very low240 Ų240150.6 Ų150.691%0.90678%0.783SS**THydrogen-bonded Turntrans-132.3-3.1177.4-130.1-177.8-168.3134.50.1117.8T104T104-R106 PolarHBondContact O-N 3.07Å
107E43.6Very low45Very low178 Ų178143.6 Ų143.683%0.83277%0.771SS**SBendtrans-133.2155.3168.6-94.317114100109.3
108L41.3Very low46.6Very low168 Ų168142.4 Ų142.488%0.8877%0.766SS**  trans9060.6-165.5-44.8179.8000114
109I48.3Very low48.8Very low167 Ų167141.8 Ų141.886%0.85675%0.748SS**  trans-107.388143.6-57.1176.8000106.4
110S41.8Very low51.2Low100 Ų100138.1 Ų138.170%0.69973%0.734SS**  trans-143.6111.7163-530000107.8
111E47.2Very low53.5Low199 Ų199133.2 Ų133.293%0.9370%0.702SS**SBendtrans69.3126.6149-57.8172-165.900119.1
112G45.3Very low55.7Low73 Ų73129.3 Ų129.375%0.75370%0.697SS**  trans113.875.7163.200000115.5T114G112-T114 PolarHBondContact O-N 2.79Å
113E49.8Very low57.5Low190 Ų190130 Ų13089%0.88869%0.688SS**  trans2098.8142.4-57.7179.4148.900118.1
114T42.3Very low59.7Low129 Ų129125.9 Ų125.979%0.79167%0.668SS**  -143.2128.1112.946.10000107.3G112 S116G112-T114 PolarHBondContact O-N 2.79Å; T114-S116 PolarHBondContact O-N 2.84Å
115S53.4Low61.8Low119 Ų119125.9 Ų125.983%0.83267%0.665SS**  trans-6749.7173.146.90000112.2S117S115-S117 PolarHBondContact O-N 3.44Å
116S57.8Low63.5Low68 Ų68126.9 Ų126.948%0.47666%0.655SS.*  trans-75.684.4161.4-169.80000106.8T114 R118T114-S116 PolarHBondContact O-N 2.84Å; S116-R118 PolarHBondContact O-N 2.78Å
117S67.4Low65.2Low90 Ų90119 Ų11963%0.62963%0.633SS**  trans-47.4101.7173.9-62.40000109.1S115 I119S115-S117 PolarHBondContact O-N 3.44Å; S117-I119 WeakPolarHBondContact O-CG1 3.49Å; S117-I119 PolarHBondContact O-N 2.9Å
118R76.7Confident67.2Low201 Ų201112.3 Ų112.376%0.75860%0.601SS**  trans-72.8113.1174.2-76-176-168138.61.4106.7S116 V127S116-R118 PolarHBondContact O-N 2.78Å; R118-V127 HydrophobicContact CB-CG1 3.6Å; R118-V127 HydrophobicContact CG-CG1 4.18Å
119I81.9Confident69.1Low50 Ų50107.8 Ų107.826%0.25658%0.581SS.*EExtended strand (participates in β ladder)trans-100.8124.8-172.1-37.2-174.9000109.1S117 F128 E131 L134S117-I119 WeakPolarHBondContact O-CG1 3.49Å; S117-I119 PolarHBondContact O-N 2.9Å; I119-F128 PolarHBondContact N-O 3.01Å; I119-F128 PolarHBondContact O-N 2.84Å; I119-E131 HydrophobicContact CD1-CB 3.72Å; I119-E131 WeakPolarHBondContact CD1-OE2 3.39Å; I119-L134 HydrophobicContact CB-CD2 4Å; I119-L134 HydrophobicContact CG2-CD2 3.35Å
120R87Confident70.8Confident163 Ų163108 Ų10862%0.61557%0.571SS**EExtended strand (participates in β ladder)trans-95.2142.7-175.5-173.9-177.7-70.4171.10.6111.5N125 R126 V127R120-N125 WeakPolarHBondContact CD-OD1 3.33Å; R120-N125 HydrophobicContact CG-CB 4.46Å; R120-R126 CarbonylContact C-O 3.59Å; R120-R126 WeakPolarHBondContact CA-O 3.33Å; R120-V127 HydrophobicContact CG-CG2 4.43Å
121C86.4Confident72.7Confident0 Ų0106.9 Ų106.90%056%0.555CS.*PPolyproline II helixtrans-75.7126.8167.1-177.30000111I123 N125 R126 F128 L134C121-I123 PolarHBondContact O-N 3.06Å; C121-I123 PolarHBondContact SG-N 2.75Å; C121-N125 WeakPolarHBondContact O-CA 3.13Å; C121-N125 PolarHBondContact O-N 2.96Å; C121-R126 PolarHBondContact N-O 2.74Å; C121-F128 HydrophobicContact CB-CE2 4.21Å; C121-L134 HydrophobicContact CB-CD1 3.63Å
122N81.6Confident74.3Confident125 Ų125106.2 Ų106.267%0.66855%0.549SS*.THydrogen-bonded Turntrans-70.3-15.2177.760.6-26000114.5
123I83.8Confident76.1Confident102 Ų102104.6 Ų104.652%0.52353%0.527SS..THydrogen-bonded Turntrans-93.9-44.4-178.1-60.2169.6000111.5C121 H141C121-I123 PolarHBondContact O-N 3.06Å; C121-I123 PolarHBondContact SG-N 2.75Å; I123-H141 HydrophobicContact CD1-CB 3.56Å
124C85.8Confident77.6Confident49 Ų4995.7 Ų95.733%0.33149%0.485SS..THydrogen-bonded Turntrans-124.710.1-174.370.90000114.2R126 H137C124-R126 PolarHBondContact O-N 3.24Å; C124-H137 VanDerWaalsContact SG-CE1 3.6Å; C124-H137 PolarHBondContact SG-NE2 3.46Å
125N81.9Confident79.5Confident103 Ų10393.4 Ų93.455%0.55147%0.465SS*.  trans5612.1177-66.9-45.2000116.3R120 C121R120-N125 WeakPolarHBondContact CD-OD1 3.33Å; R120-N125 HydrophobicContact CG-CB 4.46Å; C121-N125 WeakPolarHBondContact O-CA 3.13Å; C121-N125 PolarHBondContact O-N 2.96Å
126R81.3Confident80.8Confident151 Ų15188.1 Ų88.157%0.5743%0.429SS*.  trans-65.6136.4172.6-74.7-172.7179.5-143.70.1110.8R120 C121 C124 F128R120-R126 CarbonylContact C-O 3.59Å; R120-R126 WeakPolarHBondContact CA-O 3.33Å; C121-R126 PolarHBondContact N-O 2.74Å; C124-R126 PolarHBondContact O-N 3.24Å; R126-F128 HydrophobicContact CB-CE2 3.59Å; R126-F128 HydrophobicContact CB-CZ 3.84Å; R126-F128 WeakPolarHBondContact O-CD2 3.45Å; R126-F128 WeakPolarHBondContact O-CE2 3.38Å
127V84.9Confident81.9Confident74 Ų7486.1 Ų86.145%0.44841%0.412SS..EExtended strand (participates in β ladder)trans-98.6131.8-178.4-1780000109.7R118 R120R118-V127 HydrophobicContact CB-CG1 3.6Å; R118-V127 HydrophobicContact CG-CG1 4.18Å; R120-V127 HydrophobicContact CG-CG2 4.43Å
128F85.1Confident82.5Confident38 Ų3884.8 Ų84.817%0.16740%0.395CS..EExtended strand (participates in β ladder)trans-121.6142.4-179.1-63.3-87.5000110.3I119 C121 R126 R130 L134 H137I119-F128 PolarHBondContact N-O 3.01Å; I119-F128 PolarHBondContact O-N 2.84Å; C121-F128 HydrophobicContact CB-CE2 4.21Å; R126-F128 HydrophobicContact CB-CE2 3.59Å; R126-F128 HydrophobicContact CB-CZ 3.84Å; R126-F128 WeakPolarHBondContact O-CD2 3.45Å; R126-F128 WeakPolarHBondContact O-CE2 3.38Å; F128-R130 VanDerWaalsContact C-N 3.26Å; F128-R130 PolarHBondContact O-N 3.17Å; F128-L134 HydrophobicContact CB-CB 4.24Å; F128-L134 HydrophobicContact CD2-CB 4.18Å; F128-L134 HydrophobicContact CD2-CD1 3.64Å; F128-L134 HydrophobicContact CE2-CD1 3.95Å; F128-L134 HydrophobicContact CG-CB 4.32Å; F128-H137 HydrophobicContact CE1-CB 3.87Å; F128-H137 HydrophobicContact CE2-CB 3.94Å; F128-H137 AromaticContact CE2-CD2 3.37Å; F128-H137 WeakPolarHBondContact CE2-CD2 3.16Å; F128-H137 AromaticContact CE2-CG 3.62Å; F128-H137 HydrophobicContact CZ-CB 3.46Å; F128-H137 VanDerWaalsContact CZ-CB 3.46Å; F128-H137 AromaticContact CZ-CD2 3.44Å; F128-H137 VanDerWaalsContact CZ-CD2 3.44Å; F128-H137 WeakPolarHBondContact CZ-CD2 3.46Å; F128-H137 AromaticContact CZ-CG 3.2Å; F128-H137 AromaticContact CZ-ND1 3.73Å
129P82.2Confident82.7Confident72 Ų7278.7 Ų78.747%0.46837%0.372SS..SBendtrans-77.5-10.4179.230.8-35.6000113.4
130R83.9Confident82.5Confident171 Ų17180.2 Ų80.265%0.64538%0.384SS*.SBendtrans-146.3144.9-175-58.9-174.9-168.6109.6-0.1111.5F128 K132 S133 L134F128-R130 VanDerWaalsContact C-N 3.26Å; F128-R130 PolarHBondContact O-N 3.17Å; R130-K132 PolarHBondContact O-N 2.73Å; R130-S133 WeakPolarHBondContact O-CB 3.19Å; R130-S133 PolarHBondContact O-N 3.15Å; R130-S133 VanDerWaalsContact O-N 3.12Å; R130-L134 PolarHBondContact O-N 3.43Å; R130-L134 VanDerWaalsContact O-N 3.12Å
131E81.8Confident81.9Confident77 Ų7775.9 Ų75.936%0.3637%0.37SS..Hα-helixtrans-61.3-41.3177.4-175.356.4-151.200112.3I119 S133 L134 Q135I119-E131 HydrophobicContact CD1-CB 3.72Å; I119-E131 WeakPolarHBondContact CD1-OE2 3.39Å; E131-S133 PolarHBondContact O-N 3.2Å; E131-L134 CarbonylContact O-C 3.59Å; E131-L134 PolarHBondContact O-N 3.09Å; E131-Q135 HydrophobicContact CG-CG 4.2Å; E131-Q135 WeakPolarHBondContact O-CB 3.41Å; E131-Q135 WeakPolarHBondContact O-CG 3.45Å; E131-Q135 PolarHBondContact O-N 3.33Å; E131-Q135 WeakPolarHBondContact OE1-CG 3.4Å; E131-Q135 PolarHBondContact OE1-NE2 2.93Å
132K80.2Confident81.3Confident185 Ų18580.1 Ų80.180%0.80440%0.396SS*.Hα-helixtrans-57.2-36176.5-67.8-176179.7178.60112.5R130 A136R130-K132 PolarHBondContact O-N 2.73Å; K132-A136 WeakPolarHBondContact O-CB 3.37Å; K132-A136 PolarHBondContact O-N 3.3Å
133S82.4Confident80.9Confident40 Ų4076.8 Ų76.828%0.2839%0.392SS..Hα-helixtrans-72.9-40.3177.1-60.20000111.4R130 E131 H137R130-S133 WeakPolarHBondContact O-CB 3.19Å; R130-S133 PolarHBondContact O-N 3.15Å; R130-S133 VanDerWaalsContact O-N 3.12Å; E131-S133 PolarHBondContact O-N 3.2Å; S133-H137 VanDerWaalsContact O-CB 3.32Å; S133-H137 WeakPolarHBondContact O-CB 3.38Å; S133-H137 PolarHBondContact O-N 3.45Å
134L82.8Confident80.3Confident2 Ų275.5 Ų75.51%0.0138%0.383CS..Hα-helixtrans-63.8-43.8173.7177.363.5000111.8I119 C121 F128 R130 E131 H137 K138I119-L134 HydrophobicContact CB-CD2 4Å; I119-L134 HydrophobicContact CG2-CD2 3.35Å; C121-L134 HydrophobicContact CB-CD1 3.63Å; F128-L134 HydrophobicContact CB-CB 4.24Å; F128-L134 HydrophobicContact CD2-CB 4.18Å; F128-L134 HydrophobicContact CD2-CD1 3.64Å; F128-L134 HydrophobicContact CE2-CD1 3.95Å; F128-L134 HydrophobicContact CG-CB 4.32Å; R130-L134 PolarHBondContact O-N 3.43Å; R130-L134 VanDerWaalsContact O-N 3.12Å; E131-L134 CarbonylContact O-C 3.59Å; E131-L134 PolarHBondContact O-N 3.09Å; L134-H137 CarbonylContact O-C 3.08Å; L134-H137 WeakPolarHBondContact O-CA 3.43Å; L134-H137 WeakPolarHBondContact O-CB 3.38Å; L134-H137 PolarHBondContact O-N 3.19Å; L134-H137 VanDerWaalsContact O-N 3.1Å; L134-K138 HydrophobicContact CD1-CG 4.37Å; L134-K138 HydrophobicContact CG-CD 4.37Å; L134-K138 HydrophobicContact CG-CG 4.45Å; L134-K138 WeakPolarHBondContact O-CG 3.46Å; L134-K138 PolarHBondContact O-N 2.74Å
135Q80.8Confident79.9Confident81 Ų8178.9 Ų78.938%0.37939%0.389SS..Hα-helixtrans-62.1-45.9177.1-72.4-67.2-25.600111.9E131 H137 K138 R139E131-Q135 HydrophobicContact CG-CG 4.2Å; E131-Q135 WeakPolarHBondContact O-CB 3.41Å; E131-Q135 WeakPolarHBondContact O-CG 3.45Å; E131-Q135 PolarHBondContact O-N 3.33Å; E131-Q135 WeakPolarHBondContact OE1-CG 3.4Å; E131-Q135 PolarHBondContact OE1-NE2 2.93Å; Q135-H137 PolarHBondContact O-N 3.23Å; Q135-K138 PolarHBondContact O-N 2.96Å; Q135-R139 PolarHBondContact O-N 3.42Å
136A80.7Confident79.7Confident8 Ų876 Ų767%0.06638%0.376CS..Hα-helixtrans-61.9-34.3172.600000111.9K132 R139 V159 Q160K132-A136 WeakPolarHBondContact O-CB 3.37Å; K132-A136 PolarHBondContact O-N 3.3Å; A136-R139 WeakPolarHBondContact O-CB 3.41Å; A136-V159 HydrophobicContact CB-CG1 4.42Å; A136-V159 WeakPolarHBondContact O-CG1 3.44Å; A136-Q160 HydrophobicContact CB-CG 3.98Å
137H81.6Confident79.6Confident26 Ų2672.6 Ų72.612%0.1236%0.364CS..Hα-helixtrans-71-39.8174.2172.563.8000112.6C124 F128 S133 L134 Q135 R139 T140 H141C124-H137 VanDerWaalsContact SG-CE1 3.6Å; C124-H137 PolarHBondContact SG-NE2 3.46Å; F128-H137 HydrophobicContact CE1-CB 3.87Å; F128-H137 HydrophobicContact CE2-CB 3.94Å; F128-H137 AromaticContact CE2-CD2 3.37Å; F128-H137 WeakPolarHBondContact CE2-CD2 3.16Å; F128-H137 AromaticContact CE2-CG 3.62Å; F128-H137 HydrophobicContact CZ-CB 3.46Å; F128-H137 VanDerWaalsContact CZ-CB 3.46Å; F128-H137 AromaticContact CZ-CD2 3.44Å; F128-H137 VanDerWaalsContact CZ-CD2 3.44Å; F128-H137 WeakPolarHBondContact CZ-CD2 3.46Å; F128-H137 AromaticContact CZ-CG 3.2Å; F128-H137 AromaticContact CZ-ND1 3.73Å; S133-H137 VanDerWaalsContact O-CB 3.32Å; S133-H137 WeakPolarHBondContact O-CB 3.38Å; S133-H137 PolarHBondContact O-N 3.45Å; L134-H137 CarbonylContact O-C 3.08Å; L134-H137 WeakPolarHBondContact O-CA 3.43Å; L134-H137 WeakPolarHBondContact O-CB 3.38Å; L134-H137 PolarHBondContact O-N 3.19Å; L134-H137 VanDerWaalsContact O-N 3.1Å; Q135-H137 PolarHBondContact O-N 3.23Å; H137-R139 PolarHBondContact O-N 3.4Å; H137-T140 WeakPolarHBondContact O-CB 3.45Å; H137-T140 PolarHBondContact O-N 3.14Å; H137-T140 PolarHBondContact O-OG1 3.44Å; H137-H141 AromaticContact CD2-NE2 3.94Å; H137-H141 AromaticContact CE1-NE2 3.51Å; H137-H141 AromaticContact NE2-CD2 3.84Å; H137-H141 AromaticContact NE2-NE2 3.06Å; H137-H141 PolarHBondContact NE2-NE2 2.79Å
138K79.8Confident79.4Confident63 Ų6369.7 Ų69.727%0.27435%0.346SS..Hα-helixtrans-57.2-33.8176.3-76.8176.3175.2176.80111.9L134 Q135 T140 H141 T142L134-K138 HydrophobicContact CD1-CG 4.37Å; L134-K138 HydrophobicContact CG-CD 4.37Å; L134-K138 HydrophobicContact CG-CG 4.45Å; L134-K138 WeakPolarHBondContact O-CG 3.46Å; L134-K138 PolarHBondContact O-N 2.74Å; Q135-K138 PolarHBondContact O-N 2.96Å; K138-T140 PolarHBondContact O-N 2.98Å; K138-H141 WeakPolarHBondContact O-CB 3.44Å; K138-H141 PolarHBondContact O-N 3.34Å; K138-T142 PolarHBondContact O-N 3.48Å; K138-T142 VanDerWaalsContact O-N 3.15Å
139R80.6Confident79.3Confident72 Ų7268.2 Ų68.227%0.27234%0.34SS..Hα-helixtrans-61.4-20.2172.5-69.3-179.3-173.4134.85.5114.7Q135 A136 H137 H141 T142 G143 E144 V159Q135-R139 PolarHBondContact O-N 3.42Å; A136-R139 WeakPolarHBondContact O-CB 3.41Å; H137-R139 PolarHBondContact O-N 3.4Å; R139-H141 VanDerWaalsContact C-N 3.31Å; R139-T142 WeakPolarHBondContact CA-OG1 3.35Å; R139-G143 CarbonylContact O-C 3.58Å; R139-G143 WeakPolarHBondContact O-CA 3.49Å; R139-G143 PolarHBondContact O-N 3.46Å; R139-E144 HydrophobicContact CB-CB 4.39Å; R139-E144 WeakPolarHBondContact CB-O 3.42Å; R139-E144 HydrophobicContact CG-CB 4.19Å; R139-E144 PolarHBondContact O-N 3.43Å; R139-V159 HydrophobicContact CB-CG1 3.52Å; R139-V159 HydrophobicContact CG-CG1 4.37Å
140T77.3Confident79Confident83 Ų8367.9 Ų67.951%0.50933%0.334SS..Hα-helixtrans-74.6-25172.271.10000112.4H137 K138H137-T140 WeakPolarHBondContact O-CB 3.45Å; H137-T140 PolarHBondContact O-N 3.14Å; H137-T140 PolarHBondContact O-OG1 3.44Å; K138-T140 PolarHBondContact O-N 2.98Å
141H75.5Confident78.6Confident71 Ų7165.5 Ų65.533%0.32933%0.326SS..Hα-helixtrans-83.1-38174.5-61.4-61.2000111.6I123 H137 K138 R139 G143I123-H141 HydrophobicContact CD1-CB 3.56Å; H137-H141 AromaticContact CD2-NE2 3.94Å; H137-H141 AromaticContact CE1-NE2 3.51Å; H137-H141 AromaticContact NE2-CD2 3.84Å; H137-H141 AromaticContact NE2-NE2 3.06Å; H137-H141 PolarHBondContact NE2-NE2 2.79Å; K138-H141 WeakPolarHBondContact O-CB 3.44Å; K138-H141 PolarHBondContact O-N 3.34Å; R139-H141 VanDerWaalsContact C-N 3.31Å; H141-G143 VanDerWaalsContact C-N 3.34Å
142T73.6Confident77.7Confident90 Ų9065.2 Ų65.255%0.55233%0.331SS*.Hα-helixtrans-83.6-10.5178.462.60000113.6K138 R139 E144K138-T142 PolarHBondContact O-N 3.48Å; K138-T142 VanDerWaalsContact O-N 3.15Å; R139-T142 WeakPolarHBondContact CA-OG1 3.35Å; T142-E144 PolarHBondContact O-N 2.98Å; T142-E144 WeakPolarHBondContact OG1-CG 3.47Å
143G72.9Confident77.3Confident55 Ų5564.8 Ų64.857%0.56734%0.337SS*.  trans71.56.9-177.400000114.5R139 H141 R145R139-G143 CarbonylContact O-C 3.58Å; R139-G143 WeakPolarHBondContact O-CA 3.49Å; R139-G143 PolarHBondContact O-N 3.46Å; H141-G143 VanDerWaalsContact C-N 3.34Å; G143-R145 PolarHBondContact O-N 3.4Å
144E72.5Confident77.2Confident75 Ų7564.1 Ų64.135%0.3533%0.332SS..  trans-71.6122.7-177.9-68.7-169.6131.800112.2R139 T142 P146 R234R139-E144 HydrophobicContact CB-CB 4.39Å; R139-E144 WeakPolarHBondContact CB-O 3.42Å; R139-E144 HydrophobicContact CG-CB 4.19Å; R139-E144 PolarHBondContact O-N 3.43Å; T142-E144 PolarHBondContact O-N 2.98Å; T142-E144 WeakPolarHBondContact OG1-CG 3.47Å; E144-P146 WeakPolarHBondContact O-CD 3.36Å; E144-R234 IonicContact OE1-CZ 3.68Å; E144-R234 IonicContact OE1-NH1 3.99Å; E144-R234 IonicContact OE1-NH2 2.73Å; E144-R234 PolarHBondContact OE1-NH2 3.04Å
145R77.4Confident76.7Confident119 Ų11966.8 Ų66.845%0.44936%0.36SS..  trans-124.480179.6-63.8172.482158.85.2109.8G143 Y147 A157 F158 V159G143-R145 PolarHBondContact O-N 3.4Å; R145-Y147 PolarHBondContact O-N 2.95Å; R145-A157 HydrophobicContact CB-CB 3.35Å; R145-A157 HydrophobicContact CG-CB 4.29Å; R145-A157 PolarHBondContact NE-O 3.19Å; R145-A157 PolarHBondContact NH2-O 3.12Å; R145-F158 CarbonylContact C-O 3.49Å; R145-F158 VanDerWaalsContact C-O 3.26Å; R145-F158 WeakPolarHBondContact CA-O 3.45Å; R145-V159 HydrophobicContact CG-CG2 3.92Å
146P76.4Confident76.4Confident42 Ų4268.3 Ų68.327%0.27337%0.366SS..  trans-70.8-12.4-172.126.7-33.6000114.3E144E144-P146 WeakPolarHBondContact O-CD 3.36Å
147Y80.2Confident76.4Confident80 Ų8068.7 Ų68.731%0.31437%0.369SS..EExtended strand (participates in β ladder)trans-10398.3-176.4-58.2-76.2000110.7R145 A157 F158 V159R145-Y147 PolarHBondContact O-N 2.95Å; Y147-A157 CarbonylContact O-C 3.36Å; Y147-A157 WeakPolarHBondContact O-CA 3.32Å; Y147-F158 WeakPolarHBondContact CB-O 3.06Å; Y147-F158 WeakPolarHBondContact CD2-O 3.48Å; Y147-F158 PolarHBondContact N-O 2.9Å; Y147-F158 PolarHBondContact O-N 3.1Å; Y147-V159 VanDerWaalsContact CD2-C 3.43Å; Y147-V159 WeakPolarHBondContact CD2-O 3.4Å; Y147-V159 WeakPolarHBondContact CE2-O 3.41Å
148L79.4Confident76.2Confident14 Ų1468.9 Ų68.97%0.07337%0.369CS..EExtended strand (participates in β ladder)trans-93.8147.4-175.8-61.5154000110.5A157 L164 W226 L227 Y230L148-A157 HydrophobicContact CD2-CB 3.39Å; L148-A157 HydrophobicContact CG-CB 4.47Å; L148-L164 VanDerWaalsContact O-CD1 3.27Å; L148-L164 WeakPolarHBondContact O-CD1 3.49Å; L148-L164 VanDerWaalsContact O-CD2 3.31Å; L148-L164 WeakPolarHBondContact O-CD2 3.5Å; L148-W226 HydrophobicContact CB-CH2 3.97Å; L148-W226 HydrophobicContact CB-CZ3 3.94Å; L148-W226 HydrophobicContact CD1-CH2 3.65Å; L148-W226 HydrophobicContact CD1-CZ3 3.6Å; L148-W226 HydrophobicContact CD2-CH2 3.97Å; L148-W226 HydrophobicContact CG-CH2 4.03Å; L148-W226 HydrophobicContact CG-CZ3 4.22Å; L148-L227 HydrophobicContact CD1-CD2 4.03Å; L148-Y230 HydrophobicContact CD1-CD1 3.71Å; L148-Y230 HydrophobicContact CD1-CD2 4.33Å; L148-Y230 HydrophobicContact CD1-CE1 3.56Å; L148-Y230 HydrophobicContact CD1-CE2 4.19Å; L148-Y230 HydrophobicContact CD1-CG 4.1Å; L148-Y230 HydrophobicContact CD2-CE2 4.27Å
149C83.4Confident76.1Confident7 Ų766.8 Ų66.85%0.04736%0.362CS..  trans-80.9119.7173.3-176.40000110.3Y151 C154 K156 L164 H167 H171C149-Y151 PolarHBondContact O-N 3.41Å; C149-C154 HydrophobicContact CB-CB 4.26Å; C149-K156 HydrophobicContact CB-CB 4.41Å; C149-K156 WeakPolarHBondContact CB-O 3.39Å; C149-K156 PolarHBondContact N-O 3.11Å; C149-L164 HydrophobicContact CB-CD1 4.09Å; C149-H167 VanDerWaalsContact SG-CD2 3.54Å; C149-H167 PolarHBondContact SG-NE2 3.06Å; C149-H167 VanDerWaalsContact SG-NE2 3.38Å; C149-H171 VanDerWaalsContact SG-CD2 3.6Å; C149-H171 PolarHBondContact SG-NE2 3.39Å
150D76.2Confident76Confident65 Ų6567.6 Ų67.635%0.34837%0.369SS..  trans-74-2.6-179.1-46.6-50.3000113.6Q168 V223D150-Q168 PolarHBondContact OD2-NE2 3.49Å; D150-V223 HydrophobicContact CB-CG1 4.43Å
151Y75.9Confident76.1Confident120 Ų12066.4 Ų66.447%0.47136%0.364SS..SBendtrans-75.6125-179.4-161.8-92.2000110.6C149 N153 C154 H171C149-Y151 PolarHBondContact O-N 3.41Å; Y151-N153 PolarHBondContact O-N 3.07Å; Y151-C154 WeakPolarHBondContact O-CB 3.41Å; Y151-C154 PolarHBondContact O-N 2.8Å; Y151-H171 AromaticContact CD1-CE1 3.81Å; Y151-H171 AromaticContact CD1-ND1 3.71Å; Y151-H171 HydrophobicContact CD2-CB 3.68Å; Y151-H171 AromaticContact CD2-CG 3.76Å; Y151-H171 HydrophobicContact CE2-CB 3.93Å; Y151-H171 HydrophobicContact CG-CB 4.11Å; Y151-H171 AromaticContact CG-CD2 3.82Å; Y151-H171 AromaticContact CG-CE1 3.9Å; Y151-H171 AromaticContact CG-CG 3.64Å; Y151-H171 AromaticContact CG-ND1 3.75Å; Y151-H171 AromaticContact CG-NE2 3.98Å
152P63.2Low76.3Confident72 Ų7264.9 Ų64.947%0.46837%0.368SS..THydrogen-bonded Turntrans-59.8132.1-179.223.4-31.4000109.6
153N70.3Confident76.6Confident175 Ų17564.3 Ų64.394%0.93636%0.359SS*.THydrogen-bonded Turntrans76.92.4-174.7-46.6-28.5000116.7Y151Y151-N153 PolarHBondContact O-N 3.07Å
154C79.9Confident77.1Confident26 Ų2662.7 Ų62.718%0.17634%0.337CS..THydrogen-bonded Turntrans-84.8-49.5176.1-165.30000113C149 Y151 K156 H167 H171C149-C154 HydrophobicContact CB-CB 4.26Å; Y151-C154 WeakPolarHBondContact O-CB 3.41Å; Y151-C154 PolarHBondContact O-N 2.8Å; C154-K156 PolarHBondContact O-N 3.41Å; C154-H167 PolarHBondContact SG-NE2 3.06Å; C154-H171 VanDerWaalsContact SG-CE1 3.58Å; C154-H171 PolarHBondContact SG-NE2 3.12Å; C154-H171 VanDerWaalsContact SG-NE2 3.36Å
155G73.2Confident77.5Confident58 Ų5865.8 Ų65.860%0.59835%0.349SS*.  trans58.910.4177.700000115.6
156K75.6Confident77.8Confident114 Ų11461.8 Ų61.850%0.49634%0.338SS..  trans-80.4127.9-176.6-72.6179.4-174.3177.10110.6C149 C154 F158C149-K156 HydrophobicContact CB-CB 4.41Å; C149-K156 WeakPolarHBondContact CB-O 3.39Å; C149-K156 PolarHBondContact N-O 3.11Å; C154-K156 PolarHBondContact O-N 3.41Å; K156-F158 HydrophobicContact CB-CE2 3.86Å; K156-F158 HydrophobicContact CB-CZ 4.05Å
157A79Confident78Confident15 Ų1560.4 Ų60.412%0.12433%0.328CS..EExtended strand (participates in β ladder)trans-102.8154.4175.100000110.9R145 Y147 L148R145-A157 HydrophobicContact CB-CB 3.35Å; R145-A157 HydrophobicContact CG-CB 4.29Å; R145-A157 PolarHBondContact NE-O 3.19Å; R145-A157 PolarHBondContact NH2-O 3.12Å; Y147-A157 CarbonylContact O-C 3.36Å; Y147-A157 WeakPolarHBondContact O-CA 3.32Å; L148-A157 HydrophobicContact CD2-CB 3.39Å; L148-A157 HydrophobicContact CG-CB 4.47Å
158F79.1Confident78Confident30 Ų3059.6 Ų59.613%0.13233%0.327CS..EExtended strand (participates in β ladder)trans-137.5155.9179.3-61.8-86.8000110.7R145 Y147 K156 Q163 L164 H167R145-F158 CarbonylContact C-O 3.49Å; R145-F158 VanDerWaalsContact C-O 3.26Å; R145-F158 WeakPolarHBondContact CA-O 3.45Å; Y147-F158 WeakPolarHBondContact CB-O 3.06Å; Y147-F158 WeakPolarHBondContact CD2-O 3.48Å; Y147-F158 PolarHBondContact N-O 2.9Å; Y147-F158 PolarHBondContact O-N 3.1Å; K156-F158 HydrophobicContact CB-CE2 3.86Å; K156-F158 HydrophobicContact CB-CZ 4.05Å; F158-Q163 HydrophobicContact CB-CB 4.05Å; F158-Q163 HydrophobicContact CD1-CB 3.73Å; F158-Q163 HydrophobicContact CG-CB 4.08Å; F158-L164 HydrophobicContact CB-CB 4.49Å; F158-L164 HydrophobicContact CD2-CB 4.12Å; F158-L164 HydrophobicContact CD2-CD1 4.04Å; F158-L164 HydrophobicContact CE2-CD1 4.32Å; F158-H167 HydrophobicContact CE1-CB 4.17Å; F158-H167 HydrophobicContact CE2-CB 3.69Å; F158-H167 AromaticContact CE2-CD2 3.38Å; F158-H167 WeakPolarHBondContact CE2-CD2 3.49Å; F158-H167 AromaticContact CE2-CG 3.46Å; F158-H167 VanDerWaalsContact CE2-CG 3.46Å; F158-H167 HydrophobicContact CZ-CB 3.45Å; F158-H167 VanDerWaalsContact CZ-CB 3.45Å; F158-H167 AromaticContact CZ-CD2 3.65Å; F158-H167 AromaticContact CZ-CG 3.26Å; F158-H167 AromaticContact CZ-ND1 3.74Å
159V76.8Confident78.2Confident20 Ų2061 Ų6112%0.12133%0.331CS..SBendtrans-86.8-22-178.6-178.50000111.6A136 R139 R145 Y147A136-V159 HydrophobicContact CB-CG1 4.42Å; A136-V159 WeakPolarHBondContact O-CG1 3.44Å; R139-V159 HydrophobicContact CB-CG1 3.52Å; R139-V159 HydrophobicContact CG-CG1 4.37Å; R145-V159 HydrophobicContact CG-CG2 3.92Å; Y147-V159 VanDerWaalsContact CD2-C 3.43Å; Y147-V159 WeakPolarHBondContact CD2-O 3.4Å; Y147-V159 WeakPolarHBondContact CE2-O 3.41Å
160Q79.2Confident78Confident88 Ų8865.4 Ų65.441%0.41135%0.354SS..SBendtrans-130.5142.8-179-62.5-178.92.400111.5A136 G162 Q163 L164A136-Q160 HydrophobicContact CB-CG 3.98Å; Q160-G162 VanDerWaalsContact C-N 3.28Å; Q160-G162 PolarHBondContact O-N 3.36Å; Q160-Q163 HydrophobicContact CB-CG 4.15Å; Q160-Q163 WeakPolarHBondContact O-CB 3.25Å; Q160-Q163 PolarHBondContact O-N 3.26Å; Q160-Q163 VanDerWaalsContact O-N 3.16Å; Q160-L164 PolarHBondContact O-N 3.02Å
161S78.3Confident78.1Confident59 Ų5965.1 Ų65.141%0.41335%0.35SS..Hα-helixtrans-61-35.1177.559.30000113Q163 L164 K165S161-Q163 VanDerWaalsContact C-N 3.29Å; S161-Q163 PolarHBondContact O-N 2.95Å; S161-L164 PolarHBondContact O-N 3.37Å; S161-K165 PolarHBondContact O-N 3.46Å
162G80.1Confident78.2Confident39 Ų3963.6 Ų63.640%0.40235%0.353SS..Hα-helixtrans-61-37.7176.700000112.8Q160 K165 T166Q160-G162 VanDerWaalsContact C-N 3.28Å; Q160-G162 PolarHBondContact O-N 3.36Å; G162-K165 PolarHBondContact O-N 3.24Å; G162-T166 WeakPolarHBondContact O-CG2 3.47Å; G162-T166 PolarHBondContact O-N 3.04Å; G162-T166 VanDerWaalsContact O-N 3.07Å; G162-T166 PolarHBondContact O-OG1 3.21Å
163Q80.3Confident78.9Confident78 Ų7862.4 Ų62.436%0.36436%0.355SS..Hα-helixtrans-69.9-37.8177.2-63.3173.8-4.600111.6F158 Q160 S161 T166 H167F158-Q163 HydrophobicContact CB-CB 4.05Å; F158-Q163 HydrophobicContact CD1-CB 3.73Å; F158-Q163 HydrophobicContact CG-CB 4.08Å; Q160-Q163 HydrophobicContact CB-CG 4.15Å; Q160-Q163 WeakPolarHBondContact O-CB 3.25Å; Q160-Q163 PolarHBondContact O-N 3.26Å; Q160-Q163 VanDerWaalsContact O-N 3.16Å; S161-Q163 VanDerWaalsContact C-N 3.29Å; S161-Q163 PolarHBondContact O-N 2.95Å; Q163-T166 PolarHBondContact O-OG1 3.37Å; Q163-T166 VanDerWaalsContact O-OG1 3.11Å; Q163-H167 WeakPolarHBondContact O-CB 3.33Å; Q163-H167 PolarHBondContact O-N 3.11Å
164L82.4Confident79.4Confident21 Ų2159 Ų5911%0.1133%0.333CS..Hα-helixtrans-63-46.2173.4173.762.3000111.2L148 C149 F158 Q160 S161 T166 H167 Q168L148-L164 VanDerWaalsContact O-CD1 3.27Å; L148-L164 WeakPolarHBondContact O-CD1 3.49Å; L148-L164 VanDerWaalsContact O-CD2 3.31Å; L148-L164 WeakPolarHBondContact O-CD2 3.5Å; C149-L164 HydrophobicContact CB-CD1 4.09Å; F158-L164 HydrophobicContact CB-CB 4.49Å; F158-L164 HydrophobicContact CD2-CB 4.12Å; F158-L164 HydrophobicContact CD2-CD1 4.04Å; F158-L164 HydrophobicContact CE2-CD1 4.32Å; Q160-L164 PolarHBondContact O-N 3.02Å; S161-L164 PolarHBondContact O-N 3.37Å; L164-T166 PolarHBondContact O-N 2.76Å; L164-H167 CarbonylContact O-C 3.55Å; L164-H167 WeakPolarHBondContact O-CB 3.47Å; L164-H167 PolarHBondContact O-N 3.5Å; L164-H167 VanDerWaalsContact O-N 3.15Å; L164-Q168 HydrophobicContact CD1-CG 4.16Å; L164-Q168 HydrophobicContact CG-CG 4.49Å; L164-Q168 WeakPolarHBondContact O-CG 3.35Å; L164-Q168 PolarHBondContact O-N 3.35Å
165K82.1Confident79.6Confident139 Ų13962.9 Ų62.960%0.60435%0.347SS*.Hα-helixtrans-60.5-43.6178.1-73.5-175.5179.9-173.70112.3S161 G162 H167 Q168 R169S161-K165 PolarHBondContact O-N 3.46Å; G162-K165 PolarHBondContact O-N 3.24Å; K165-H167 VanDerWaalsContact C-N 3.3Å; K165-Q168 PolarHBondContact O-N 3.05Å; K165-R169 PolarHBondContact O-N 3.08Å
166T81.9Confident80.1Confident35 Ų3561 Ų6122%0.21532%0.324CS..Hα-helixtrans-70.9-30.517761.20000112.3G162 Q163 L164 R169 H190G162-T166 WeakPolarHBondContact O-CG2 3.47Å; G162-T166 PolarHBondContact O-N 3.04Å; G162-T166 VanDerWaalsContact O-N 3.07Å; G162-T166 PolarHBondContact O-OG1 3.21Å; Q163-T166 PolarHBondContact O-OG1 3.37Å; Q163-T166 VanDerWaalsContact O-OG1 3.11Å; L164-T166 PolarHBondContact O-N 2.76Å; T166-R169 WeakPolarHBondContact O-CB 3.31Å; T166-H190 VanDerWaalsContact CB-NE2 3.26Å; T166-H190 WeakPolarHBondContact CB-NE2 3.33Å; T166-H190 PolarHBondContact OG1-NE2 2.74Å
167H82.3Confident80.6Confident13 Ų1356.5 Ų56.56%0.0631%0.305CS..Hα-helixtrans-66.9-42.7172.9173.861.4000112.4C149 C154 F158 Q163 L164 K165 R169 L170 H171C149-H167 VanDerWaalsContact SG-CD2 3.54Å; C149-H167 PolarHBondContact SG-NE2 3.06Å; C149-H167 VanDerWaalsContact SG-NE2 3.38Å; C154-H167 PolarHBondContact SG-NE2 3.06Å; F158-H167 HydrophobicContact CE1-CB 4.17Å; F158-H167 HydrophobicContact CE2-CB 3.69Å; F158-H167 AromaticContact CE2-CD2 3.38Å; F158-H167 WeakPolarHBondContact CE2-CD2 3.49Å; F158-H167 AromaticContact CE2-CG 3.46Å; F158-H167 VanDerWaalsContact CE2-CG 3.46Å; F158-H167 HydrophobicContact CZ-CB 3.45Å; F158-H167 VanDerWaalsContact CZ-CB 3.45Å; F158-H167 AromaticContact CZ-CD2 3.65Å; F158-H167 AromaticContact CZ-CG 3.26Å; F158-H167 AromaticContact CZ-ND1 3.74Å; Q163-H167 WeakPolarHBondContact O-CB 3.33Å; Q163-H167 PolarHBondContact O-N 3.11Å; L164-H167 CarbonylContact O-C 3.55Å; L164-H167 WeakPolarHBondContact O-CB 3.47Å; L164-H167 PolarHBondContact O-N 3.5Å; L164-H167 VanDerWaalsContact O-N 3.15Å; K165-H167 VanDerWaalsContact C-N 3.3Å; H167-R169 PolarHBondContact O-N 2.88Å; H167-L170 WeakPolarHBondContact O-CB 3.21Å; H167-L170 WeakPolarHBondContact O-CG 3.42Å; H167-L170 PolarHBondContact O-N 3.44Å; H167-H171 AromaticContact CE1-NE2 3.67Å; H167-H171 AromaticContact NE2-CD2 3.97Å; H167-H171 AromaticContact NE2-NE2 3.23Å; H167-H171 PolarHBondContact NE2-NE2 3.06Å
168Q80Confident81Confident64 Ų6456.7 Ų56.730%0.29930%0.304SS..Hα-helixtrans-59-31.8177.2-77.2171.9-27.600112.4D150 L164 K165 L170 H171 T172D150-Q168 PolarHBondContact OD2-NE2 3.49Å; L164-Q168 HydrophobicContact CD1-CG 4.16Å; L164-Q168 HydrophobicContact CG-CG 4.49Å; L164-Q168 WeakPolarHBondContact O-CG 3.35Å; L164-Q168 PolarHBondContact O-N 3.35Å; K165-Q168 PolarHBondContact O-N 3.05Å; Q168-L170 PolarHBondContact O-N 3.05Å; Q168-L170 VanDerWaalsContact O-N 3.13Å; Q168-H171 WeakPolarHBondContact O-CB 3.46Å; Q168-H171 PolarHBondContact O-N 3.06Å; Q168-T172 PolarHBondContact O-N 3.23Å; Q168-T172 VanDerWaalsContact O-N 3.1Å
169R83.6Confident81.4Confident42 Ų4255.6 Ų55.616%0.15830%0.3CS..Hα-helixtrans-60.5-20.3172.9-65.5177.8-173.3166.30.3114.2K165 T166 H167 H171 T172 G173 E174 F177 T189K165-R169 PolarHBondContact O-N 3.08Å; T166-R169 WeakPolarHBondContact O-CB 3.31Å; H167-R169 PolarHBondContact O-N 2.88Å; R169-H171 VanDerWaalsContact C-N 3.33Å; R169-T172 WeakPolarHBondContact CA-OG1 3.4Å; R169-G173 CarbonylContact O-C 3.26Å; R169-G173 WeakPolarHBondContact O-CA 3.41Å; R169-G173 PolarHBondContact O-N 2.92Å; R169-E174 HydrophobicContact CB-CB 4.38Å; R169-E174 HydrophobicContact CG-CB 4.23Å; R169-E174 PolarHBondContact O-N 3.3Å; R169-F177 VanDerWaalsContact NH1-CE2 3.25Å; R169-T189 PolarHBondContact NH1-O 3.5Å
170L79Confident81.9Confident100 Ų10056.8 Ų56.852%0.52431%0.309SS..Hα-helixtrans-73-30.6173.9-59.1176.1000111.7H167 Q168 T189H167-L170 WeakPolarHBondContact O-CB 3.21Å; H167-L170 WeakPolarHBondContact O-CG 3.42Å; H167-L170 PolarHBondContact O-N 3.44Å; Q168-L170 PolarHBondContact O-N 3.05Å; Q168-L170 VanDerWaalsContact O-N 3.13Å; L170-T189 HydrophobicContact CD2-CG2 4.36Å
171H77.9Confident82.1Confident60 Ų6056.7 Ų56.728%0.27831%0.309SS..Hα-helixtrans-81.1-41.2176.7-61.5-55000111.4C149 Y151 C154 H167 Q168 R169 G173C149-H171 VanDerWaalsContact SG-CD2 3.6Å; C149-H171 PolarHBondContact SG-NE2 3.39Å; Y151-H171 AromaticContact CD1-CE1 3.81Å; Y151-H171 AromaticContact CD1-ND1 3.71Å; Y151-H171 HydrophobicContact CD2-CB 3.68Å; Y151-H171 AromaticContact CD2-CG 3.76Å; Y151-H171 HydrophobicContact CE2-CB 3.93Å; Y151-H171 HydrophobicContact CG-CB 4.11Å; Y151-H171 AromaticContact CG-CD2 3.82Å; Y151-H171 AromaticContact CG-CE1 3.9Å; Y151-H171 AromaticContact CG-CG 3.64Å; Y151-H171 AromaticContact CG-ND1 3.75Å; Y151-H171 AromaticContact CG-NE2 3.98Å; C154-H171 VanDerWaalsContact SG-CE1 3.58Å; C154-H171 PolarHBondContact SG-NE2 3.12Å; C154-H171 VanDerWaalsContact SG-NE2 3.36Å; H167-H171 AromaticContact CE1-NE2 3.67Å; H167-H171 AromaticContact NE2-CD2 3.97Å; H167-H171 AromaticContact NE2-NE2 3.23Å; H167-H171 PolarHBondContact NE2-NE2 3.06Å; Q168-H171 WeakPolarHBondContact O-CB 3.46Å; Q168-H171 PolarHBondContact O-N 3.06Å; R169-H171 VanDerWaalsContact C-N 3.33Å; H171-G173 VanDerWaalsContact C-N 3.31Å
172T77.8Confident82.1Confident87 Ų8763.9 Ų63.953%0.53433%0.333SS..Hα-helixtrans-80.5-12.5178.563.40000113.4Q168 R169 E174Q168-T172 PolarHBondContact O-N 3.23Å; Q168-T172 VanDerWaalsContact O-N 3.1Å; R169-T172 WeakPolarHBondContact CA-OG1 3.4Å; T172-E174 PolarHBondContact O-N 2.67Å; T172-E174 WeakPolarHBondContact OG1-CG 3.45Å
173G78.3Confident82Confident48 Ų4866.4 Ų66.450%0.49536%0.359SS..  trans71.16.4-176.700000114.3R169 H171 K175R169-G173 CarbonylContact O-C 3.26Å; R169-G173 WeakPolarHBondContact O-CA 3.41Å; R169-G173 PolarHBondContact O-N 2.92Å; H171-G173 VanDerWaalsContact C-N 3.31Å; G173-K175 PolarHBondContact O-N 2.66Å
174E81.8Confident82.2Confident102 Ų10263.4 Ų63.448%0.47735%0.346SS..  trans-64.2123.5-177.3-76.8179.1-170.500112.4R169 T172 P176R169-E174 HydrophobicContact CB-CB 4.38Å; R169-E174 HydrophobicContact CG-CB 4.23Å; R169-E174 PolarHBondContact O-N 3.3Å; T172-E174 PolarHBondContact O-N 2.67Å; T172-E174 WeakPolarHBondContact OG1-CG 3.45Å; E174-P176 WeakPolarHBondContact O-CD 3.32Å
175K82.9Confident82Confident108 Ų10865.2 Ų65.247%0.4737%0.37SS..  trans-120.380.9175.2-66.1173.1-174.2177.30109.5G173 F177 R187 F188 T189G173-K175 PolarHBondContact O-N 2.66Å; K175-F177 VanDerWaalsContact C-N 3.26Å; K175-F177 PolarHBondContact O-N 2.92Å; K175-R187 HydrophobicContact CB-CB 3.67Å; K175-R187 HydrophobicContact CD-CB 4.12Å; K175-R187 PolarHBondContact O-NE 2.77Å; K175-R187 VanDerWaalsContact O-NE 3.15Å; K175-R187 PolarHBondContact O-NH2 3.48Å; K175-R187 VanDerWaalsContact O-NH2 3.07Å; K175-F188 CarbonylContact C-O 3.57Å; K175-F188 VanDerWaalsContact CA-O 3.27Å; K175-F188 WeakPolarHBondContact CA-O 3.37Å; K175-T189 HydrophobicContact CG-CG2 3.78Å
176P84.1Confident82.1Confident18 Ų1860.1 Ų60.112%0.11735%0.352CS..  trans-76.9-10.8-175.530-34.5000113.2E174 R205 E206E174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-R205 WeakPolarHBondContact O-CA 3.34Å; P176-E206 PolarHBondContact O-N 2.94Å
177F85.6Confident82.3Confident21 Ų2163.8 Ų63.89%0.09236%0.362CS..EExtended strand (participates in β ladder)trans-100.8126-178.9-59.5-75.2000110.7R169 K175 R187 F188 T189 H190 A191 L203 N204 R205R169-F177 VanDerWaalsContact NH1-CE2 3.25Å; K175-F177 VanDerWaalsContact C-N 3.26Å; K175-F177 PolarHBondContact O-N 2.92Å; F177-R187 CarbonylContact O-C 3.44Å; F177-R187 VanDerWaalsContact O-CA 3.25Å; F177-R187 WeakPolarHBondContact O-CA 3.48Å; F177-F188 HydrophobicContact CB-CB 4.2Å; F177-F188 PolarHBondContact N-O 3.22Å; F177-F188 VanDerWaalsContact N-O 3.14Å; F177-F188 PolarHBondContact O-N 3.33Å; F177-T189 WeakPolarHBondContact CE2-O 3.38Å; F177-H190 VanDerWaalsContact CE2-C 3.48Å; F177-A191 HydrophobicContact CD1-CB 4.05Å; F177-A191 HydrophobicContact CE1-CB 3.56Å; F177-A191 HydrophobicContact CE2-CB 4.13Å; F177-A191 HydrophobicContact CZ-CB 3.6Å; F177-L203 HydrophobicContact CB-CB 4.08Å; F177-L203 HydrophobicContact CB-CD1 3.92Å; F177-N204 CarbonylContact C-O 3.36Å; F177-N204 VanDerWaalsContact CA-O 3.3Å; F177-N204 WeakPolarHBondContact CA-O 3.4Å; F177-R205 HydrophobicContact CD1-CB 4.03Å; F177-R205 HydrophobicContact CD1-CG 4.33Å; F177-R205 HydrophobicContact CE1-CB 3.93Å; F177-R205 HydrophobicContact CE1-CG 3.98Å
178V86.9Confident82.3Confident18 Ų1863.9 Ų63.911%0.10936%0.362CS..EExtended strand (participates in β ladder)trans-121141.2-179.2-171.40000109.5S180 S186 R187 L203 N204 E206V178-S180 PolarHBondContact O-N 3.47Å; V178-S186 WeakPolarHBondContact CA-O 3.35Å; V178-R187 HydrophobicContact CG2-CG 4.15Å; V178-R187 VanDerWaalsContact CG2-CZ 3.42Å; V178-L203 CarbonylContact O-C 3.52Å; V178-L203 WeakPolarHBondContact O-CA 3.29Å; V178-N204 PolarHBondContact N-O 2.93Å; V178-N204 PolarHBondContact O-N 3.38Å; V178-E206 VanDerWaalsContact CG2-CD 3.42Å; V178-E206 HydrophobicContact CG2-CG 3.88Å; V178-E206 WeakPolarHBondContact CG2-OE2 3.31Å
179C89.1Confident82.4Confident7 Ų761.5 Ų61.55%0.04735%0.352CS..EExtended strand (participates in β ladder)trans-60.6129.2173.2-174.80000110.3E181 C184 S186 C195 H198 L203C179-E181 PolarHBondContact O-N 3.27Å; C179-C184 HydrophobicContact CB-CB 4.01Å; C179-S186 PolarHBondContact N-O 2.85Å; C179-C195 HydrophobicContact CB-CB 4.32Å; C179-H198 PolarHBondContact SG-ND1 3.24Å; C179-H198 VanDerWaalsContact SG-ND1 3.44Å; C179-L203 HydrophobicContact CB-CD2 4.3Å
180S85.4Confident82.3Confident45 Ų4562.9 Ų62.932%0.31536%0.36SS..SBendtrans-71.3-12.7-178.8-480000113.6V178 R202 N204V178-S180 PolarHBondContact O-N 3.47Å; S180-R202 PolarHBondContact N-O 3.38Å; S180-R202 PolarHBondContact OG-O 2.87Å; S180-N204 PolarHBondContact OG-ND2 3.36Å; S180-N204 VanDerWaalsContact OG-ND2 3.17Å; S180-N204 PolarHBondContact OG-OD1 3.18Å
181E84.8Confident82.3Confident87 Ų8760.7 Ų60.741%0.40736%0.356SS..SBendtrans-72.6128.8179-65.1-61.8161.700111.8C179 G183 C184 H198 S201C179-E181 PolarHBondContact O-N 3.27Å; E181-G183 PolarHBondContact O-N 3.13Å; E181-C184 HydrophobicContact CB-CB 4.2Å; E181-C184 WeakPolarHBondContact O-CB 3.49Å; E181-C184 PolarHBondContact O-N 3.07Å; E181-H198 HydrophobicContact CG-CB 3.86Å; E181-S201 VanDerWaalsContact CG-OG 3.29Å; E181-S201 WeakPolarHBondContact CG-OG 3.38Å; E181-S201 WeakPolarHBondContact OE1-CB 3.17Å; E181-S201 PolarHBondContact OE1-OG 3.45Å
182K78.3Confident82.3Confident209 Ų20965 Ų6591%0.90938%0.382SS*.THydrogen-bonded Turntrans-62131.6178.8-68-161.6177.2-173.60109.9C184K182-C184 VanDerWaalsContact C-N 3.34Å; K182-C184 PolarHBondContact O-N 3.46Å
183G78.1Confident82.5Confident92 Ų9268 Ų6895%0.94838%0.383SS*.THydrogen-bonded Turntrans83.7-1.8-179.900000115.6E181E181-G183 PolarHBondContact O-N 3.13Å
184C84.3Confident82.8Confident15 Ų1571.9 Ų71.910%0.10139%0.388CS..  trans-79.1-41.8179.7-172.10000114C179 E181 K182 S186 C195 H198C179-C184 HydrophobicContact CB-CB 4.01Å; E181-C184 HydrophobicContact CB-CB 4.2Å; E181-C184 WeakPolarHBondContact O-CB 3.49Å; E181-C184 PolarHBondContact O-N 3.07Å; K182-C184 VanDerWaalsContact C-N 3.34Å; K182-C184 PolarHBondContact O-N 3.46Å; C184-S186 PolarHBondContact O-N 2.97Å; C184-S186 PolarHBondContact O-OG 2.98Å; C184-S186 PolarHBondContact SG-OG 3.33Å; C184-C195 PolarHBondContact SG-SG 3.33Å; C184-H198 VanDerWaalsContact CB-CE1 3.48Å; C184-H198 WeakPolarHBondContact CB-CE1 3.47Å; C184-H198 PolarHBondContact SG-CE1 3.11Å; C184-H198 PolarHBondContact SG-ND1 2.92Å
185G78.8Confident82.9Confident60 Ų6067 Ų6762%0.61937%0.365SS*.  trans59.13.9-179.200000116.3R187G185-R187 PolarHBondContact O-N 3Å
186S83.3Confident83Confident32 Ų3267.4 Ų67.422%0.22438%0.379CS..  trans-73.9127.9-172.5-67.60000111.4V178 C179 C184V178-S186 WeakPolarHBondContact CA-O 3.35Å; C179-S186 PolarHBondContact N-O 2.85Å; C184-S186 PolarHBondContact O-N 2.97Å; C184-S186 PolarHBondContact O-OG 2.98Å; C184-S186 PolarHBondContact SG-OG 3.33Å
187R85.7Confident82.9Confident112 Ų11273.9 Ų73.942%0.42341%0.405SS..EExtended strand (participates in β ladder)trans-115.3143.5-178-47.7-173.268.895.52.1112.3K175 F177 V178 G185 E206K175-R187 HydrophobicContact CB-CB 3.67Å; K175-R187 HydrophobicContact CD-CB 4.12Å; K175-R187 PolarHBondContact O-NE 2.77Å; K175-R187 VanDerWaalsContact O-NE 3.15Å; K175-R187 PolarHBondContact O-NH2 3.48Å; K175-R187 VanDerWaalsContact O-NH2 3.07Å; F177-R187 CarbonylContact O-C 3.44Å; F177-R187 VanDerWaalsContact O-CA 3.25Å; F177-R187 WeakPolarHBondContact O-CA 3.48Å; V178-R187 HydrophobicContact CG2-CG 4.15Å; V178-R187 VanDerWaalsContact CG2-CZ 3.42Å; G185-R187 PolarHBondContact O-N 3Å; R187-E206 IonicContact CZ-OE2 3.2Å; R187-E206 IonicContact NH1-OE2 2.78Å; R187-E206 PolarHBondContact NH1-OE2 3.22Å; R187-E206 IonicContact NH2-OE2 2.73Å; R187-E206 PolarHBondContact NH2-OE2 2.99Å
188F82.9Confident82.8Confident14 Ų1475.4 Ų75.46%0.06141%0.413CS..EExtended strand (participates in β ladder)trans-135.7152.6-173.1-52.6-77.5000112.1K175 F177 R193 C195 L203K175-F188 CarbonylContact C-O 3.57Å; K175-F188 VanDerWaalsContact CA-O 3.27Å; K175-F188 WeakPolarHBondContact CA-O 3.37Å; F177-F188 HydrophobicContact CB-CB 4.2Å; F177-F188 PolarHBondContact N-O 3.22Å; F177-F188 VanDerWaalsContact N-O 3.14Å; F177-F188 PolarHBondContact O-N 3.33Å; F188-R193 HydrophobicContact CB-CB 4.31Å; F188-R193 HydrophobicContact CD1-CB 4.19Å; F188-R193 HydrophobicContact CD1-CG 4.29Å; F188-R193 HydrophobicContact CG-CB 4.3Å; F188-C195 HydrophobicContact CE2-CB 4.18Å; F188-C195 HydrophobicContact CZ-CB 4.01Å; F188-L203 HydrophobicContact CB-CD1 3.94Å; F188-L203 HydrophobicContact CD2-CD1 3.47Å; F188-L203 VanDerWaalsContact CD2-CD1 3.47Å; F188-L203 HydrophobicContact CD2-CD2 3.5Å; F188-L203 VanDerWaalsContact CD2-CD2 3.5Å; F188-L203 HydrophobicContact CD2-CG 4.14Å; F188-L203 HydrophobicContact CE2-CD1 4.24Å; F188-L203 HydrophobicContact CE2-CD2 3.52Å; F188-L203 HydrophobicContact CG-CD1 3.9Å
189T82.4Confident82.5Confident14 Ų1477.7 Ų77.79%0.08643%0.428CS..SBendtrans-84.8-22.5178.852.70000112.9R169 L170 K175 F177R169-T189 PolarHBondContact NH1-O 3.5Å; L170-T189 HydrophobicContact CD2-CG2 4.36Å; K175-T189 HydrophobicContact CG-CG2 3.78Å; F177-T189 WeakPolarHBondContact CE2-O 3.38Å
190H81.5Confident82.2Confident72 Ų7286.9 Ų86.933%0.33347%0.467SS..SBendtrans-126.5144.3-176-64.878.1000111.4T166 F177 N192T166-H190 VanDerWaalsContact CB-NE2 3.26Å; T166-H190 WeakPolarHBondContact CB-NE2 3.33Å; T166-H190 PolarHBondContact OG1-NE2 2.74Å; F177-H190 VanDerWaalsContact CE2-C 3.48Å; H190-N192 VanDerWaalsContact C-N 3.35Å
191A78.1Confident82Confident53 Ų5385.9 Ų85.944%0.43846%0.46SS..THydrogen-bonded Turntrans-68.5-32.7178.400000113F177 R193F177-A191 HydrophobicContact CD1-CB 4.05Å; F177-A191 HydrophobicContact CE1-CB 3.56Å; F177-A191 HydrophobicContact CE2-CB 4.13Å; F177-A191 HydrophobicContact CZ-CB 3.6Å; A191-R193 PolarHBondContact O-N 3.06Å
192N78.6Confident81.8Confident152 Ų15291 Ų9181%0.81348%0.476SS*.THydrogen-bonded Turntrans-82.79.7-175.8-640.7000112.9H190H190-N192 VanDerWaalsContact C-N 3.35Å
193R81.9Confident82.2Confident148 Ų14882.5 Ų82.556%0.55844%0.44SS*.PPolyproline II helixtrans-85.8137.5176.4-137.5-176-172176.2-3108.6F188 A191 L203F188-R193 HydrophobicContact CB-CB 4.31Å; F188-R193 HydrophobicContact CD1-CB 4.19Å; F188-R193 HydrophobicContact CD1-CG 4.29Å; F188-R193 HydrophobicContact CG-CB 4.3Å; A191-R193 PolarHBondContact O-N 3.06Å; R193-L203 HydrophobicContact CB-CD1 4.43Å; R193-L203 WeakPolarHBondContact O-CD1 3.4Å
194H84.4Confident82.4Confident130 Ų13082.4 Ų82.460%0.60242%0.418SS*.PPolyproline II helixtrans-88.1145.1172.7-64.3-77.2000109.7P196 P199H194-P196 WeakPolarHBondContact O-CD 3.42Å; H194-P199 PolarHBondContact ND1-O 3.39Å
195C84.6Confident82.4Confident0 Ų089.8 Ų89.80%044%0.444CS..PPolyproline II helixtrans-72.6126.9169.2-177.90000108.5C179 C184 F188 K197 H198 P199C179-C195 HydrophobicContact CB-CB 4.32Å; C184-C195 PolarHBondContact SG-SG 3.33Å; F188-C195 HydrophobicContact CE2-CB 4.18Å; F188-C195 HydrophobicContact CZ-CB 4.01Å; C195-K197 PolarHBondContact O-N 3.16Å; C195-H198 HydrophobicContact CB-CB 4.06Å; C195-H198 CarbonylContact O-C 3.52Å; C195-H198 PolarHBondContact O-N 3.34Å; C195-P199 WeakPolarHBondContact O-CA 3.31Å; C195-P199 VanDerWaalsContact O-N 3.16Å
196P83.5Confident82.5Confident116 Ų11691 Ų9175%0.75343%0.433SS*.SBendtrans-59.3-31.6179.2-24.333.5000113.1H194H194-P196 WeakPolarHBondContact O-CD 3.42Å
197K82.3Confident81.8Confident154 Ų15497.4 Ų97.467%0.6746%0.459SS*.SBendtrans-80.6-25.6176.9-60.6-174.5178.2-175.90112.5C195C195-K197 PolarHBondContact O-N 3.16Å
198H84.1Confident80.6Confident54 Ų5497 Ų9725%0.2547%0.472CS..  trans-140.172.4-172.2-47.2117.4000110.6C179 E181 C184 C195 F200 S201C179-H198 PolarHBondContact SG-ND1 3.24Å; C179-H198 VanDerWaalsContact SG-ND1 3.44Å; E181-H198 HydrophobicContact CG-CB 3.86Å; C184-H198 VanDerWaalsContact CB-CE1 3.48Å; C184-H198 WeakPolarHBondContact CB-CE1 3.47Å; C184-H198 PolarHBondContact SG-CE1 3.11Å; C184-H198 PolarHBondContact SG-ND1 2.92Å; C195-H198 HydrophobicContact CB-CB 4.06Å; C195-H198 CarbonylContact O-C 3.52Å; C195-H198 PolarHBondContact O-N 3.34Å; H198-F200 PolarHBondContact O-N 2.81Å; H198-S201 WeakPolarHBondContact CB-OG 3.27Å; H198-S201 PolarHBondContact O-N 2.91Å; H198-S201 VanDerWaalsContact O-N 3.14Å
199P81.6Confident79Confident65 Ų65105.8 Ų105.842%0.42251%0.51SS..THydrogen-bonded Turntrans-63.7-27.9-170.121.4-31.8000113.5H194 C195H194-P199 PolarHBondContact ND1-O 3.39Å; C195-P199 WeakPolarHBondContact O-CA 3.31Å; C195-P199 VanDerWaalsContact O-N 3.16Å
200F82.6Confident77Confident201 Ų201110.4 Ų110.488%0.88255%0.549SS*.THydrogen-bonded Turntrans-91.2-13.4179.3-59.1-70000114H198H198-F200 PolarHBondContact O-N 2.81Å
201S80.8Confident75.4Confident24 Ų24109.9 Ų109.917%0.16856%0.563CS.*SBendtrans-77.2139.6-175.1-55.50000110.4E181 H198E181-S201 VanDerWaalsContact CG-OG 3.29Å; E181-S201 WeakPolarHBondContact CG-OG 3.38Å; E181-S201 WeakPolarHBondContact OE1-CB 3.17Å; E181-S201 PolarHBondContact OE1-OG 3.45Å; H198-S201 WeakPolarHBondContact CB-OG 3.27Å; H198-S201 PolarHBondContact O-N 2.91Å; H198-S201 VanDerWaalsContact O-N 3.14Å
202R81.2Confident73.6Confident195 Ų195116 Ų11674%0.73659%0.588SS**PPolyproline II helixtrans-68154176.6-65.4-175.5-177.7169.94.1109.4S180S180-R202 PolarHBondContact N-O 3.38Å; S180-R202 PolarHBondContact OG-O 2.87Å
203L85.6Confident71.4Confident29 Ų29112.3 Ų112.315%0.15259%0.586CS.*EExtended strand (participates in β ladder)trans-95.1127.8164.8-58.4-173.3000108.3F177 V178 C179 F188 R193F177-L203 HydrophobicContact CB-CB 4.08Å; F177-L203 HydrophobicContact CB-CD1 3.92Å; V178-L203 CarbonylContact O-C 3.52Å; V178-L203 WeakPolarHBondContact O-CA 3.29Å; C179-L203 HydrophobicContact CB-CD2 4.3Å; F188-L203 HydrophobicContact CB-CD1 3.94Å; F188-L203 HydrophobicContact CD2-CD1 3.47Å; F188-L203 VanDerWaalsContact CD2-CD1 3.47Å; F188-L203 HydrophobicContact CD2-CD2 3.5Å; F188-L203 VanDerWaalsContact CD2-CD2 3.5Å; F188-L203 HydrophobicContact CD2-CG 4.14Å; F188-L203 HydrophobicContact CE2-CD1 4.24Å; F188-L203 HydrophobicContact CE2-CD2 3.52Å; F188-L203 HydrophobicContact CG-CD1 3.9Å; R193-L203 HydrophobicContact CB-CD1 4.43Å; R193-L203 WeakPolarHBondContact O-CD1 3.4Å
204N83.3Confident69Low91 Ų91115 Ų11549%0.48760%0.602SS.*EExtended strand (participates in β ladder)trans-82.5139.1169.6-72.1-13.1000109.1F177 V178 S180F177-N204 CarbonylContact C-O 3.36Å; F177-N204 VanDerWaalsContact CA-O 3.3Å; F177-N204 WeakPolarHBondContact CA-O 3.4Å; V178-N204 PolarHBondContact N-O 2.93Å; V178-N204 PolarHBondContact O-N 3.38Å; S180-N204 PolarHBondContact OG-ND2 3.36Å; S180-N204 VanDerWaalsContact OG-ND2 3.17Å; S180-N204 PolarHBondContact OG-OD1 3.18Å
205R83.1Confident66.7Low170 Ų170113.3 Ų113.364%0.64261%0.61SS**EExtended strand (participates in β ladder)trans-87116.2170.3-174.4179178.5-166.4-5.2108P176 F177P176-R205 WeakPolarHBondContact O-CA 3.34Å; F177-R205 HydrophobicContact CD1-CB 4.03Å; F177-R205 HydrophobicContact CD1-CG 4.33Å; F177-R205 HydrophobicContact CE1-CB 3.93Å; F177-R205 HydrophobicContact CE1-CG 3.98Å
206E81.3Confident64.5Low85 Ų85121.7 Ų121.740%0.39765%0.649SS.*PPolyproline II helixtrans-84.4133.5166-67.4-175.3165.600108.7P176 V178 R187P176-E206 PolarHBondContact O-N 2.94Å; V178-E206 VanDerWaalsContact CG2-CD 3.42Å; V178-E206 HydrophobicContact CG2-CG 3.88Å; V178-E206 WeakPolarHBondContact CG2-OE2 3.31Å; R187-E206 IonicContact CZ-OE2 3.2Å; R187-E206 IonicContact NH1-OE2 2.78Å; R187-E206 PolarHBondContact NH1-OE2 3.22Å; R187-E206 IonicContact NH2-OE2 2.73Å; R187-E206 PolarHBondContact NH2-OE2 2.99Å
207E69.3Low62.3Low166 Ų166120.8 Ų120.878%0.77665%0.645SS**PPolyproline II helixtrans-69.9140.2170.9-60.6-155.4129.600109.4K209E207-K209 PolarHBondContact O-N 3.37Å; E207-K209 VanDerWaalsContact O-N 3.08Å
208P58.5Low60.7Low105 Ų105116.8 Ų116.868%0.68263%0.633SS**PPolyproline II helixtrans-60.2119.1173.825-30.7000107.9A210P208-A210 PolarHBondContact O-N 3.39Å; P208-A210 VanDerWaalsContact O-N 3.08Å
209K50.1Low58.8Low197 Ų197120.2 Ų120.286%0.85765%0.654SS**PPolyproline II helixtrans-57.7117.7172.9-67.9-176179.2-178.60107.3E207 G211E207-K209 PolarHBondContact O-N 3.37Å; E207-K209 VanDerWaalsContact O-N 3.08Å; K209-G211 PolarHBondContact O-N 3.42Å
210A41.5Very low57.6Low111 Ų111123.4 Ų123.492%0.91767%0.667SS**SBendtrans-58.6105.3174.600000108.2P208P208-A210 PolarHBondContact O-N 3.39Å; P208-A210 VanDerWaalsContact O-N 3.08Å
211G47.2Very low56.2Low61 Ų61121.1 Ų121.163%0.62966%0.657SS**SBendtrans111.874.2179.700000113.9K209K209-G211 PolarHBondContact O-N 3.42Å
212L39.3Very low54.7Low183 Ų183123 Ų12396%0.95867%0.674SS**SBendtrans-177110.3141.9-101.2144.7000108.7
213G33.1Very low53.2Low74 Ų74115 Ų11576%0.76365%0.647SS**  trans113.292.8176.700000111.7A215G213-A215 PolarHBondContact O-N 3.37Å; G213-A215 VanDerWaalsContact O-N 3.09Å
214K30.6Very low51.6Low205 Ų205116.3 Ų116.389%0.89166%0.662SS**  trans-49119.3165.8-62.3178.1-179.8-1750107.1Q216K214-Q216 PolarHBondContact O-N 3.15Å
215A36.8Very low50.7Low94 Ų94116.6 Ų116.678%0.77766%0.66SS**  trans-54.4112.8157.800000104.8G213 S217G213-A215 PolarHBondContact O-N 3.37Å; G213-A215 VanDerWaalsContact O-N 3.09Å; A215-S217 VanDerWaalsContact C-N 3.29Å; A215-S217 PolarHBondContact O-N 3.48Å
216Q38.2Very low50.1Low176 Ų176113.8 Ų113.882%0.82265%0.65SS**  trans-57.7107.6166-80.7177.2-29.200104.6K214 V218K214-Q216 PolarHBondContact O-N 3.15Å; Q216-V218 PolarHBondContact O-N 3.19Å
217S38.5Very low49Very low97 Ų97112.4 Ų112.468%0.67865%0.645SS**  trans-62.395.5169.260.60000105.2A215 D219A215-S217 VanDerWaalsContact C-N 3.29Å; A215-S217 PolarHBondContact O-N 3.48Å; S217-D219 PolarHBondContact O-N 3.07Å
218V48.8Very low49Very low69 Ų69106.9 Ų106.942%0.41863%0.627SS.*  trans-56.8122161.1-94.30000105.7Q216 N220Q216-V218 PolarHBondContact O-N 3.19Å; V218-N220 PolarHBondContact O-N 3.41Å
219D43.9Very low49.6Very low126 Ų126108.2 Ų108.267%0.67462%0.623SS**  trans-50.1108.4-176.7-65.2-58.3000109.6S217 K221 A222S217-D219 PolarHBondContact O-N 3.07Å; D219-K221 PolarHBondContact O-N 3.42Å; D219-A222 PolarHBondContact O-N 3.39Å; D219-A222 VanDerWaalsContact O-N 3.08Å
220N56.1Low50.1Low132 Ų132101.7 Ų101.771%0.70659%0.593SS**Hα-helixtrans-56.6-17-173.9-73.2-41.2000112.7V218 A224V218-N220 PolarHBondContact O-N 3.41Å; N220-A224 VanDerWaalsContact O-CB 3.28Å; N220-A224 WeakPolarHBondContact O-CB 3.27Å; N220-A224 PolarHBondContact O-N 3.5Å
221K52.3Low51.1Low153 Ų153101.8 Ų101.867%0.66557%0.57SS**Hα-helixtrans-67.9-47.1176.4-170.4175.8179.4-179.10113.2D219 V223 A224 E225D219-K221 PolarHBondContact O-N 3.42Å; K221-V223 VanDerWaalsContact C-N 3.29Å; K221-V223 PolarHBondContact O-N 3.08Å; K221-A224 PolarHBondContact O-N 2.92Å; K221-E225 VanDerWaalsContact CE-OE1 3.29Å; K221-E225 WeakPolarHBondContact CE-OE1 3.45Å; K221-E225 WeakPolarHBondContact O-CB 3.37Å; K221-E225 WeakPolarHBondContact O-CG 3.46Å; K221-E225 PolarHBondContact O-N 3.4Å
222A49.4Very low52Low64 Ų64105 Ų10553%0.52957%0.568SS.*Hα-helixtrans-68.2-33.3-179.900000111.7D219 W226D219-A222 PolarHBondContact O-N 3.39Å; D219-A222 VanDerWaalsContact O-N 3.08Å; A222-W226 VanDerWaalsContact O-CB 3.31Å; A222-W226 WeakPolarHBondContact O-CB 3.45Å; A222-W226 PolarHBondContact O-N 2.75Å
223V50Low52.7Low28 Ų28100.1 Ų100.117%0.1755%0.546CS..Hα-helixtrans-69.5-43.5174.9-178.60000110.8D150 K221 W226 L227D150-V223 HydrophobicContact CB-CG1 4.43Å; K221-V223 VanDerWaalsContact C-N 3.29Å; K221-V223 PolarHBondContact O-N 3.08Å; V223-W226 PolarHBondContact O-N 2.91Å; V223-L227 HydrophobicContact CG1-CD1 4.1Å; V223-L227 HydrophobicContact CG1-CG 4.48Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 2.89Å
224A53.2Low53.5Low56 Ų56100 Ų10046%0.46352%0.523SS..Hα-helixtrans-63.6-43.2175.800000112.4N220 K221 L227 A228N220-A224 VanDerWaalsContact O-CB 3.28Å; N220-A224 WeakPolarHBondContact O-CB 3.27Å; N220-A224 PolarHBondContact O-N 3.5Å; K221-A224 PolarHBondContact O-N 2.92Å; A224-L227 PolarHBondContact O-N 3.07Å; A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 3.43Å
225E63.9Low54.5Low97 Ų9797.3 Ų97.345%0.45351%0.513SS..Hα-helixtrans-65.1-38.7176.3-73.6174.9-167.500112.2K221 K229K221-E225 VanDerWaalsContact CE-OE1 3.29Å; K221-E225 WeakPolarHBondContact CE-OE1 3.45Å; K221-E225 WeakPolarHBondContact O-CB 3.37Å; K221-E225 WeakPolarHBondContact O-CG 3.46Å; K221-E225 PolarHBondContact O-N 3.4Å; E225-K229 WeakPolarHBondContact O-CG 3.48Å; E225-K229 PolarHBondContact O-N 3.44Å; E225-K229 VanDerWaalsContact O-N 3.13Å
226W69.8Low55Low111 Ų111100.8 Ų100.842%0.4251%0.513SS..Hα-helixtrans-67.7-43.9174.5-179.486.6000112L148 A222 V223 A228 K229 Y230L148-W226 HydrophobicContact CB-CH2 3.97Å; L148-W226 HydrophobicContact CB-CZ3 3.94Å; L148-W226 HydrophobicContact CD1-CH2 3.65Å; L148-W226 HydrophobicContact CD1-CZ3 3.6Å; L148-W226 HydrophobicContact CD2-CH2 3.97Å; L148-W226 HydrophobicContact CG-CH2 4.03Å; L148-W226 HydrophobicContact CG-CZ3 4.22Å; A222-W226 VanDerWaalsContact O-CB 3.31Å; A222-W226 WeakPolarHBondContact O-CB 3.45Å; A222-W226 PolarHBondContact O-N 2.75Å; V223-W226 PolarHBondContact O-N 2.91Å; W226-A228 VanDerWaalsContact C-N 3.32Å; W226-A228 PolarHBondContact O-N 3.41Å; W226-K229 PolarHBondContact O-N 2.97Å; W226-Y230 HydrophobicContact CH2-CD2 4.27Å; W226-Y230 HydrophobicContact CH2-CG 4.47Å; W226-Y230 HydrophobicContact CZ2-CD2 4.34Å; W226-Y230 WeakPolarHBondContact O-CB 3.28Å; W226-Y230 PolarHBondContact O-N 3.15Å
227L58.8Low55.1Low55 Ų55102.9 Ų102.929%0.28851%0.514SS..Hα-helixtrans-60.3-42.7175.4-75.2171.4000111.1L148 V223 A224 K229 Y230 W231L148-L227 HydrophobicContact CD1-CD2 4.03Å; V223-L227 HydrophobicContact CG1-CD1 4.1Å; V223-L227 HydrophobicContact CG1-CG 4.48Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; V223-L227 PolarHBondContact O-N 2.89Å; A224-L227 PolarHBondContact O-N 3.07Å; L227-K229 PolarHBondContact O-N 3.26Å; L227-Y230 WeakPolarHBondContact O-CB 3.33Å; L227-Y230 PolarHBondContact O-N 3.43Å; L227-W231 PolarHBondContact O-N 2.83Å
228A69.1Low54.9Low50 Ų50101.1 Ų101.141%0.41351%0.505SS..Hα-helixtrans-59.3-45.417600000112.2A224 W226 W231 Q232A224-A228 WeakPolarHBondContact O-CB 3.48Å; A224-A228 PolarHBondContact O-N 3.43Å; W226-A228 VanDerWaalsContact C-N 3.32Å; W226-A228 PolarHBondContact O-N 3.41Å; A228-W231 PolarHBondContact O-N 3.35Å; A228-Q232 WeakPolarHBondContact O-CB 3.47Å; A228-Q232 WeakPolarHBondContact O-CG 3.44Å; A228-Q232 PolarHBondContact O-N 3Å; A228-Q232 VanDerWaalsContact O-N 3.08Å
229K70.4Confident54.5Low134 Ų134103.4 Ų103.458%0.58352%0.522SS*.Hα-helixtrans-66-36.7175.6-70.5171.6-177.2173.10112.4E225 W226 L227 T233E225-K229 WeakPolarHBondContact O-CG 3.48Å; E225-K229 PolarHBondContact O-N 3.44Å; E225-K229 VanDerWaalsContact O-N 3.13Å; W226-K229 PolarHBondContact O-N 2.97Å; L227-K229 PolarHBondContact O-N 3.26Å; K229-T233 PolarHBondContact O-N 3.31Å; K229-T233 PolarHBondContact O-OG1 3.23Å
230Y62Low54.2Low59 Ų59103.2 Ų103.223%0.23153%0.525CS..Hα-helixtrans-65.3-44.6176.9176-92.9000112L148 W226 L227 T233 R234L148-Y230 HydrophobicContact CD1-CD1 3.71Å; L148-Y230 HydrophobicContact CD1-CD2 4.33Å; L148-Y230 HydrophobicContact CD1-CE1 3.56Å; L148-Y230 HydrophobicContact CD1-CE2 4.19Å; L148-Y230 HydrophobicContact CD1-CG 4.1Å; L148-Y230 HydrophobicContact CD2-CE2 4.27Å; W226-Y230 HydrophobicContact CH2-CD2 4.27Å; W226-Y230 HydrophobicContact CH2-CG 4.47Å; W226-Y230 HydrophobicContact CZ2-CD2 4.34Å; W226-Y230 WeakPolarHBondContact O-CB 3.28Å; W226-Y230 PolarHBondContact O-N 3.15Å; L227-Y230 WeakPolarHBondContact O-CB 3.33Å; L227-Y230 PolarHBondContact O-N 3.43Å; Y230-T233 WeakPolarHBondContact CA-OG1 3.42Å; Y230-T233 PolarHBondContact O-N 3.42Å; Y230-T233 PolarHBondContact O-OG1 3.46Å; Y230-R234 VanDerWaalsContact O-CB 3.25Å; Y230-R234 WeakPolarHBondContact O-CB 3.22Å; Y230-R234 PolarHBondContact O-N 3.31Å
231W62.9Low53.3Low113 Ų113103.6 Ų103.643%0.42853%0.532SS..Hα-helixtrans-68-41.3177.2-72110.4000111.9L227 A228 T233 R234 E235L227-W231 PolarHBondContact O-N 2.83Å; A228-W231 PolarHBondContact O-N 3.35Å; W231-T233 VanDerWaalsContact C-N 3.34Å; W231-T233 PolarHBondContact O-N 2.93Å; W231-R234 PolarHBondContact O-N 3.38Å; W231-R234 VanDerWaalsContact O-N 3.11Å; W231-E235 PolarHBondContact O-N 3.08Å
232Q65.1Low52.5Low129 Ų129102 Ų10260%0.60354%0.536SS*.Hα-helixtrans-58.1-42.4174-76.4174.6-0.600112.9A228 R234 Q236A228-Q232 WeakPolarHBondContact O-CB 3.47Å; A228-Q232 WeakPolarHBondContact O-CG 3.44Å; A228-Q232 PolarHBondContact O-N 3Å; A228-Q232 VanDerWaalsContact O-N 3.08Å; Q232-R234 VanDerWaalsContact C-N 3.33Å; Q232-Q236 WeakPolarHBondContact O-CG 3.37Å
233T53.9Low51.9Low81 Ų81108.2 Ų108.250%0.49755%0.551SS.*Hα-helixtrans-75.6-21.8177.644.30000113.4K229 Y230 W231K229-T233 PolarHBondContact O-N 3.31Å; K229-T233 PolarHBondContact O-OG1 3.23Å; Y230-T233 WeakPolarHBondContact CA-OG1 3.42Å; Y230-T233 PolarHBondContact O-N 3.42Å; Y230-T233 PolarHBondContact O-OG1 3.46Å; W231-T233 VanDerWaalsContact C-N 3.34Å; W231-T233 PolarHBondContact O-N 2.93Å
234R50.5Low51Low72 Ų72115.6 Ų115.627%0.27259%0.586SS.*Hα-helixtrans-81.3-38.2176.9-172.4-179136126.48.9112.2E144 Y230 W231 Q232 Q236 R237 A238E144-R234 IonicContact OE1-CZ 3.68Å; E144-R234 IonicContact OE1-NH1 3.99Å; E144-R234 IonicContact OE1-NH2 2.73Å; E144-R234 PolarHBondContact OE1-NH2 3.04Å; Y230-R234 VanDerWaalsContact O-CB 3.25Å; Y230-R234 WeakPolarHBondContact O-CB 3.22Å; Y230-R234 PolarHBondContact O-N 3.31Å; W231-R234 PolarHBondContact O-N 3.38Å; W231-R234 VanDerWaalsContact O-N 3.11Å; Q232-R234 VanDerWaalsContact C-N 3.33Å; R234-Q236 PolarHBondContact O-N 3.02Å; R234-R237 PolarHBondContact O-N 3.34Å; R234-R237 VanDerWaalsContact O-N 3.09Å; R234-A238 PolarHBondContact O-N 3.29Å
235E51.6Low50.2Low148 Ų148121.2 Ų121.269%0.69260%0.6SS**Hα-helixtrans-56.8-38173-136.186-145.400111.2W231 R237 A238W231-E235 PolarHBondContact O-N 3.08Å; E235-R237 VanDerWaalsContact C-N 3.31Å; E235-R237 PolarHBondContact O-N 3.28Å; E235-A238 PolarHBondContact O-N 2.98Å
236Q45.8Very low48.7Very low166 Ų166122.8 Ų122.878%0.77662%0.618SS**THydrogen-bonded Turntrans-75.7-14179.1-65.4-179.96.700114.3Q232 R234Q232-Q236 WeakPolarHBondContact O-CG 3.37Å; R234-Q236 PolarHBondContact O-N 3.02Å
237R42Very low47Very low220 Ų220126 Ų12683%0.8364%0.638SS**THydrogen-bonded Turntrans-102.61.3176-86.5-175.4-177.71622.5113.4R234 E235 P239R234-R237 PolarHBondContact O-N 3.34Å; R234-R237 VanDerWaalsContact O-N 3.09Å; E235-R237 VanDerWaalsContact C-N 3.31Å; E235-R237 PolarHBondContact O-N 3.28Å; R237-P239 WeakPolarHBondContact O-CD 3.29Å
238A34Very low45.6Very low60 Ų60127.3 Ų127.350%0.49666%0.664SS.*SBendtrans-59.1120.5168.400000107.4R234 E235 T240R234-A238 PolarHBondContact O-N 3.29Å; E235-A238 PolarHBondContact O-N 2.98Å; A238-T240 PolarHBondContact O-N 3.33Å
239P39.9Very low44.1Very low118 Ų118135 Ų13577%0.76669%0.688SS**  trans-59.8112.5172.523.4-29.5000106.4R237 T241R237-P239 WeakPolarHBondContact O-CD 3.29Å; P239-T241 PolarHBondContact O-N 2.96Å; P239-T241 VanDerWaalsContact O-N 3.13Å
240T37.2Very low42.1Very low122 Ų122133.4 Ų133.475%0.74870%0.7SS**  trans-52.3124.7165.550.90000105.1A238 T242A238-T240 PolarHBondContact O-N 3.33Å; T240-T242 PolarHBondContact O-N 3.31Å
241T37.3Very low40.3Very low140 Ų140136.3 Ų136.386%0.85973%0.729SS**  trans-60.293.2175.651.20000106.8P239 K243P239-T241 PolarHBondContact O-N 2.96Å; P239-T241 VanDerWaalsContact O-N 3.13Å; T241-K243 VanDerWaalsContact C-N 3.34Å; T241-K243 PolarHBondContact O-N 3.12Å
242T35.2Very low38.7Very low119 Ų119134.6 Ų134.673%0.7374%0.738SS**  trans-59.7106.4167.3-54.90000104.8T240 M244T240-T242 PolarHBondContact O-N 3.31Å; T242-M244 PolarHBondContact O-N 3.46Å
243K37.5Very low36.9Very low194 Ų194136.8 Ų136.884%0.84375%0.749SS**  trans-46.4102.6172-169.8173.9-175.5175.20107.2T241 K245T241-K243 VanDerWaalsContact C-N 3.34Å; T241-K243 PolarHBondContact O-N 3.12Å; K243-K245 PolarHBondContact O-N 3.43Å
244M31.3Very low35.8Very low184 Ų184140 Ų14091%0.90676%0.763SS**  trans-62.1107172.5-68.5-168.592.200106.4T242T242-M244 PolarHBondContact O-N 3.46Å
245K35.5Very low34.9Very low174 Ų174144.7 Ų144.776%0.75779%0.788SS**  trans-76.1122.8170.1-168.9152.7171.9175.20106.1K243 Q247K243-K245 PolarHBondContact O-N 3.43Å; K245-Q247 PolarHBondContact O-N 3.22Å; K245-Q247 VanDerWaalsContact O-N 3.13Å
246P33.6Very low33.9Very low129 Ų129146.3 Ų146.384%0.83880%0.796SS**  trans-68.5115.117326.7-28.8000107.5
247Q32.5Very low33.5Very low180 Ų180146.7 Ų146.784%0.84180%0.797SS**  trans-118.2124.3162.7-81.7-170.1-10.800107.7K245K245-Q247 PolarHBondContact O-N 3.22Å; K245-Q247 VanDerWaalsContact O-N 3.13Å
248G30.7Very low33Very low81 Ų81145.2 Ų145.284%0.83580%0.8SS**  trans176.683.5174.700000109.6
249K36.7Very low32.9Very low213 Ų213149.8 Ų149.893%0.92682%0.816SS**  trans-80.2148.6167.7-65.8-179.9174.8-173.70110
250A28.6Very low33.1Very low100 Ų100149.6 Ų149.683%0.82682%0.815SS**  trans161.9141.8141.600000107.8
251S25.1Very low32.7Very low120 Ų120152 Ų15284%0.83982%0.819SS**  cis-176.9174.7-8.7-162.70000106.6
252A28.1Very low32.6Very low76 Ų76153.7 Ų153.763%0.62882%0.818SS**  trans90.599.8172.200000114.4
253E28.8Very low32.3Very low176 Ų176156.9 Ų156.982%0.82282%0.822SS**  77.3103.781.1-77.5175.3144.400110.9
254D29Very low31.9Very low148 Ų148154.6 Ų154.679%0.79182%0.818SS**  -178160.1111.6-94.1-32.6000111.8
255Q33.2Very low32Very low170 Ų170153.2 Ų153.279%0.79481%0.809SS**  trans-43.3151.8-172.9-66.4148.5-40.500114.7
256E29.2Very low31.7Very low183 Ų183149.1 Ų149.186%0.85580%0.802SS**  -173.9148.371.7-168.7156.7119.400111.1
257Q37.7Very low31.5Very low174 Ų174149.9 Ų149.981%0.81380%0.799SS**  trans-77.7138176-68.9151.1-18.700110.6
258Q30.9Very low31.7Very low188 Ų188149.9 Ų149.988%0.87980%0.799SS**  -176.6154.1127.9-99.5159.820.900113
259D32.1Very low31.9Very low157 Ų157154 Ų15484%0.8480%0.797SS**  trans-66.8174.1-161-87.7-47.8000118.3
260P44.9Very low31.7Very low113 Ų113151.9 Ų151.973%0.73480%0.796SS**  trans-89.7149.9-16935.8-31.1000112.6
261M29.4Very low32Very low172 Ų172150.5 Ų150.585%0.84779%0.791SS**  trans-143.8113.3162.1-98.2-83.9-84.700109.9
262E33.9Very low32.4Very low177 Ų177153.9 Ų153.983%0.82779%0.794SS**  trans-59.9137.5157.2-71.4-173.514500109.6
263F28.6Very low32.9Very low185 Ų185159.3 Ų159.381%0.81181%0.806SS**  trans-144.1125.8147.1-140.4-97.5000109.2
264L29.6Very low33.6Very low146 Ų146156 Ų15676%0.76480%0.8SS**  trans-75.3171.8173.1-73.7165.4000111.2
265H33.9Very low33.9Very low155 Ų155157.6 Ų157.672%0.71880%0.802SS**  trans112.3106.7167.4-63.2-69.1000112.5
266S28.3Very low34Very low88 Ų88154 Ų15462%0.61580%0.802SS**  109.3113.558-79.90000107.7
267D30.4Very low34.1Very low145 Ų145154 Ų15478%0.77580%0.804SS**  trans43.7119.5138.3-41.6-49000119.6
268E35.9Very low34.2Very low181 Ų181154.4 Ų154.485%0.84681%0.806SS**  168.1144.595-83.8-168.9130.900112.2
269E35.9Very low34.5Very low166 Ų166152.5 Ų152.578%0.77680%0.797SS**  trans0.3133.3167-63.1-177.9139.100121.3
270N33.1Very low34.9Very low169 Ų169153.8 Ų153.890%0.90480%0.798SS**  -165.7134.8108.6-95-59.2000110.7
271G34Very low34.9Very low71 Ų71156.4 Ų156.473%0.73280%0.798SS**  trans-80.3152.4-177.100000113.6
272E34.4Very low35.7Very low192 Ų192151.2 Ų151.290%0.89779%0.789SS**  trans-170.9108.2149.4-103.9167.9-179.200107.6
273E37.4Very low36.4Very low190 Ų190147.7 Ų147.789%0.88878%0.783SS**  trans-67.7140.6152.5-90.7-168.6149.100107.1
274P43.8Very low37.3Very low107 Ų107147.7 Ų147.770%0.69579%0.786SS**  -150.5159.383.534.4-13.4000117.4
275E34.8Very low38Very low180 Ų180142.9 Ų142.984%0.84177%0.771SS**  trans81111.3141.6-76.7179.3-171.300120.8M277E275-M277 PolarHBondContact O-N 2.81Å
276A34.9Very low38.8Very low95 Ų95136.9 Ų136.979%0.78575%0.752SS**  trans-48.6120.4167.200000113.1
277M31.7Very low40.1Very low183 Ų183134.8 Ų134.890%0.90174%0.74SS**  trans-101.284.2157-49.9-167.1-6500107.1E275 E279E275-M277 PolarHBondContact O-N 2.81Å; M277-E279 PolarHBondContact O-N 3.14Å
278E39.8Very low41.3Very low182 Ų182130.4 Ų130.485%0.8572%0.724SS**  trans-61.6123.8167.5-72.2-156.8153.400109E280E278-E280 PolarHBondContact O-N 3.02Å
279E38.4Very low42.6Very low148 Ų148129.3 Ų129.369%0.69272%0.716SS**  trans-52.8110.7166.1-81-172.2111.500109.5M277 K281M277-E279 PolarHBondContact O-N 3.14Å; E279-K281 PolarHBondContact O-N 3.21Å; E279-K281 IonicContact OE1-NZ 2.7Å; E279-K281 PolarHBondContact OE1-NZ 3.25Å; E279-K281 IonicContact OE2-NZ 3.98Å
280E40.3Very low44Very low185 Ų185130.3 Ų130.386%0.86471%0.713SS**  trans-74.866.9172.4-144.4-165.3175.200110.7E278E278-E280 PolarHBondContact O-N 3.02Å
281K44.8Very low46Very low168 Ų168131 Ų13173%0.7370%0.703SS**  trans-96.392.4165.3-79.6175.4-179.4148.60109.4E279E279-K281 PolarHBondContact O-N 3.21Å; E279-K281 IonicContact OE1-NZ 2.7Å; E279-K281 PolarHBondContact OE1-NZ 3.25Å; E279-K281 IonicContact OE2-NZ 3.98Å
282G47Very low47.8Very low63 Ų63133 Ų13365%0.64970%0.696SS**  trans126.984.8147.500000117.2
283S47.7Very low49.7Very low102 Ų102129.3 Ų129.371%0.71368%0.679SS**Hα-helixtrans-93.4-12.8176.2-167.70000115.3
284Q46.8Very low51.7Low185 Ų185124.9 Ų124.986%0.86466%0.658SS**Hα-helixtrans-91.7-25.1-178.5-70.2-171-1.200115
285G45.2Very low53.4Low45 Ų45125.6 Ų125.646%0.46465%0.652SS.*Hα-helixtrans-79.2-34.4-178.700000114.3A288 K289G285-A288 PolarHBondContact O-N 3.24Å; G285-K289 WeakPolarHBondContact O-CG 3.33Å; G285-K289 PolarHBondContact O-N 3Å
286G50Low55.6Low29 Ų29124.8 Ų124.830%0.29964%0.642SS.*Hα-helixtrans-70.5-35.6-176.700000113.6R290G286-R290 WeakPolarHBondContact O-CB 3.09Å; G286-R290 WeakPolarHBondContact O-CG 3.43Å; G286-R290 PolarHBondContact O-N 3.27Å
287A55.6Low57.9Low44 Ų44125.9 Ų125.936%0.36463%0.631SS.*Hα-helixtrans-68.3-37.6177.200000112.4R291A287-R291 WeakPolarHBondContact O-CG 3.34Å; A287-R291 PolarHBondContact O-N 3.2Å; A287-R291 VanDerWaalsContact O-N 3.13Å
288A55.8Low60.5Low54 Ų54125.5 Ų125.545%0.44662%0.619SS.*Hα-helixtrans-69.2-40.8176.500000112G285 R291 L292G285-A288 PolarHBondContact O-N 3.24Å; A288-R291 PolarHBondContact O-N 2.95Å; A288-L292 PolarHBondContact O-N 2.87Å; A288-L292 VanDerWaalsContact O-N 3.07Å
289K62.6Low62.6Low158 Ų158122.3 Ų122.369%0.68761%0.607SS**Hα-helixtrans-65.1-43175.7-73.3-178.8178.7-177.40112.3G285 R291 L292 Q293G285-K289 WeakPolarHBondContact O-CG 3.33Å; G285-K289 PolarHBondContact O-N 3Å; K289-R291 PolarHBondContact O-N 3.21Å; K289-L292 PolarHBondContact O-N 2.89Å; K289-Q293 PolarHBondContact O-N 3.13Å
290R65.4Low64.8Low187 Ų187120.8 Ų120.871%0.70660%0.6SS**Hα-helixtrans-61.5-41.3175.5-76.6-173.2-85.1-140.22.1112.5G286 L292 Q293 E294G286-R290 WeakPolarHBondContact O-CB 3.09Å; G286-R290 WeakPolarHBondContact O-CG 3.43Å; G286-R290 PolarHBondContact O-N 3.27Å; R290-L292 PolarHBondContact O-N 2.96Å; R290-Q293 WeakPolarHBondContact O-CB 3.48Å; R290-Q293 PolarHBondContact O-N 3.1Å; R290-E294 WeakPolarHBondContact O-CB 3.48Å; R290-E294 PolarHBondContact O-N 3.37Å
291R74.7Confident66.9Low182 Ų182113.7 Ų113.769%0.68758%0.576SS**Hα-helixtrans-65.3-36.4175.4-74.4175.7178.5178.61.4113.2A287 A288 K289 Q295A287-R291 WeakPolarHBondContact O-CG 3.34Å; A287-R291 PolarHBondContact O-N 3.2Å; A287-R291 VanDerWaalsContact O-N 3.13Å; A288-R291 PolarHBondContact O-N 2.95Å; K289-R291 PolarHBondContact O-N 3.21Å; R291-Q295 WeakPolarHBondContact O-CB 3.5Å; R291-Q295 WeakPolarHBondContact O-CG 3.27Å; R291-Q295 PolarHBondContact O-N 3.32Å
292L72.7Confident68.6Low114 Ų114107.9 Ų107.960%0.59756%0.559SS**Hα-helixtrans-70-39.5175.4-80.1165.7000111.9A288 K289 R290 Q295 R296A288-L292 PolarHBondContact O-N 2.87Å; A288-L292 VanDerWaalsContact O-N 3.07Å; K289-L292 PolarHBondContact O-N 2.89Å; R290-L292 PolarHBondContact O-N 2.96Å; L292-Q295 PolarHBondContact O-N 3.46Å; L292-R296 WeakPolarHBondContact O-CB 3.46Å; L292-R296 PolarHBondContact O-N 2.83Å
293Q73.8Confident70.2Confident114 Ų114109.9 Ų109.953%0.53356%0.555SS.*Hα-helixtrans-60.2-48.5173.9-168.899.26.300110.9K289 R290 Q295 R296 E297K289-Q293 PolarHBondContact O-N 3.13Å; R290-Q293 WeakPolarHBondContact O-CB 3.48Å; R290-Q293 PolarHBondContact O-N 3.1Å; Q293-Q295 VanDerWaalsContact C-N 3.35Å; Q293-Q295 PolarHBondContact O-N 2.63Å; Q293-R296 WeakPolarHBondContact O-CB 3.36Å; Q293-R296 PolarHBondContact O-N 2.87Å; Q293-R296 VanDerWaalsContact O-N 3.11Å; Q293-E297 WeakPolarHBondContact O-CG 3.29Å; Q293-E297 PolarHBondContact O-N 3.26Å
294E79.6Confident71.6Confident98 Ų98107.3 Ų107.346%0.45854%0.54SS..Hα-helixtrans-64.7-36.9179.4-166-171.8155.700112.3R290 R298R290-E294 WeakPolarHBondContact O-CB 3.48Å; R290-E294 PolarHBondContact O-N 3.37Å; E294-R298 WeakPolarHBondContact O-CB 3.43Å; E294-R298 VanDerWaalsContact O-CG 3.31Å; E294-R298 WeakPolarHBondContact O-CG 3.39Å; E294-R298 PolarHBondContact O-N 2.82Å; E294-R298 IonicContact OE1-NH1 3.5Å; E294-R298 PolarHBondContact OE1-NH1 2.8Å
295Q78.9Confident73.1Confident121 Ų121104.2 Ų104.257%0.56553%0.529SS*.Hα-helixtrans-66.4-37.6172.6-78.5-171.7-11.300112.4R291 L292 Q293 L299R291-Q295 WeakPolarHBondContact O-CB 3.5Å; R291-Q295 WeakPolarHBondContact O-CG 3.27Å; R291-Q295 PolarHBondContact O-N 3.32Å; L292-Q295 PolarHBondContact O-N 3.46Å; Q293-Q295 VanDerWaalsContact C-N 3.35Å; Q293-Q295 PolarHBondContact O-N 2.63Å; Q295-L299 WeakPolarHBondContact O-CG 3.48Å; Q295-L299 PolarHBondContact O-N 2.8Å
296R82.3Confident74.6Confident164 Ų164106.7 Ų106.762%0.61953%0.53SS*.Hα-helixtrans-66.3-42.9176.7-176.5179.2178.3-169-0.3111.6L292 Q293 L299 H300L292-R296 WeakPolarHBondContact O-CB 3.46Å; L292-R296 PolarHBondContact O-N 2.83Å; Q293-R296 WeakPolarHBondContact O-CB 3.36Å; Q293-R296 PolarHBondContact O-N 2.87Å; Q293-R296 VanDerWaalsContact O-N 3.11Å; R296-L299 PolarHBondContact O-N 3.41Å; R296-H300 PolarHBondContact O-CD2 3.47Å; R296-H300 PolarHBondContact O-N 3.14Å
297E83.9Confident75.6Confident118 Ų118111.4 Ų111.455%0.55154%0.544SS*.Hα-helixtrans-65.1-39.8177.5-72.2168.7-17000111.7Q293 L299 H300 G301Q293-E297 WeakPolarHBondContact O-CG 3.29Å; Q293-E297 PolarHBondContact O-N 3.26Å; E297-L299 PolarHBondContact O-N 3.32Å; E297-H300 PolarHBondContact O-N 3.44Å; E297-G301 PolarHBondContact O-N 3.46Å
298R84.4Confident76.5Confident175 Ų175114.3 Ų114.366%0.6655%0.553SS**Hα-helixtrans-62.9-40.1173.1-77174134.3156.6-1.6113.2E294 A302E294-R298 WeakPolarHBondContact O-CB 3.43Å; E294-R298 VanDerWaalsContact O-CG 3.31Å; E294-R298 WeakPolarHBondContact O-CG 3.39Å; E294-R298 PolarHBondContact O-N 2.82Å; E294-R298 IonicContact OE1-NH1 3.5Å; E294-R298 PolarHBondContact OE1-NH1 2.8Å; R298-A302 WeakPolarHBondContact O-CB 3.37Å; R298-A302 PolarHBondContact O-N 3.46Å
299L84.4Confident77.2Confident115 Ų115114.6 Ų114.660%0.60256%0.555SS**Hα-helixtrans-68.7-40.5176.1-74.2169.6000111.6Q295 R296 E297 A302 L303Q295-L299 WeakPolarHBondContact O-CG 3.48Å; Q295-L299 PolarHBondContact O-N 2.8Å; R296-L299 PolarHBondContact O-N 3.41Å; E297-L299 PolarHBondContact O-N 3.32Å; L299-A302 PolarHBondContact O-N 3.07Å; L299-L303 WeakPolarHBondContact O-CG 3.47Å; L299-L303 PolarHBondContact O-N 3.23Å
300H84.8Confident77.7Confident116 Ų116112.7 Ų112.754%0.53755%0.553SS.*Hα-helixtrans-62.7-42.5173.6-95.9-87.7000112.1R296 E297 L303 A304R296-H300 PolarHBondContact O-CD2 3.47Å; R296-H300 PolarHBondContact O-N 3.14Å; E297-H300 PolarHBondContact O-N 3.44Å; H300-L303 PolarHBondContact O-N 2.94Å; H300-A304 PolarHBondContact O-N 2.73Å
301G85.3Confident77.7Confident36 Ų36110 Ų11037%0.37155%0.552SS.*Hα-helixtrans-62.4-41.4174.400000112.7E297 L303 A304 L305E297-G301 PolarHBondContact O-N 3.46Å; G301-L303 PolarHBondContact O-N 3.15Å; G301-A304 PolarHBondContact O-N 2.86Å; G301-L305 WeakPolarHBondContact O-CG 3.25Å; G301-L305 PolarHBondContact O-N 2.96Å; G301-L305 VanDerWaalsContact O-N 3.08Å
302A80.3Confident77.1Confident45 Ų45108.1 Ų108.137%0.37256%0.555SS.*Hα-helixtrans-64.8-38.5176.200000112.6R298 L299 L305 I306R298-A302 WeakPolarHBondContact O-CB 3.37Å; R298-A302 PolarHBondContact O-N 3.46Å; L299-A302 PolarHBondContact O-N 3.07Å; A302-L305 PolarHBondContact O-N 2.83Å; A302-I306 WeakPolarHBondContact O-CD1 3.3Å; A302-I306 VanDerWaalsContact O-CG1 3.27Å; A302-I306 WeakPolarHBondContact O-CG1 3.35Å; A302-I306 PolarHBondContact O-N 3.17Å; A302-I306 VanDerWaalsContact O-N 3.07Å
303L80.2Confident75.8Confident105 Ų105107 Ų10755%0.5556%0.557SS.*Hα-helixtrans-67.1-41.2175.9-71.6171.5000112L299 H300 G301 L305 I306 E307L299-L303 WeakPolarHBondContact O-CG 3.47Å; L299-L303 PolarHBondContact O-N 3.23Å; H300-L303 PolarHBondContact O-N 2.94Å; G301-L303 PolarHBondContact O-N 3.15Å; L303-L305 VanDerWaalsContact C-N 3.3Å; L303-L305 PolarHBondContact O-N 3.41Å; L303-I306 PolarHBondContact O-N 3.29Å; L303-E307 WeakPolarHBondContact O-CB 3.41Å; L303-E307 PolarHBondContact O-N 3.32Å
304A77.4Confident74.9Confident49 Ų49110.7 Ų110.741%0.40559%0.591SS.*Hα-helixtrans-62.6-36.9175.500000112.3H300 G301 E307 L308H300-A304 PolarHBondContact O-N 2.73Å; G301-A304 PolarHBondContact O-N 2.86Å; A304-E307 PolarHBondContact O-N 3.41Å; A304-L308 WeakPolarHBondContact O-CB 3.48Å; A304-L308 WeakPolarHBondContact O-CG 3.32Å; A304-L308 PolarHBondContact O-N 3.24Å
305L77.9Confident74.7Confident120 Ų120111.3 Ų111.363%0.62860%0.597SS**Hα-helixtrans-68.5-36.8174.5-69.8173.2000112.6G301 A302 L303 E307 A309G301-L305 WeakPolarHBondContact O-CG 3.25Å; G301-L305 PolarHBondContact O-N 2.96Å; G301-L305 VanDerWaalsContact O-N 3.08Å; A302-L305 PolarHBondContact O-N 2.83Å; L303-L305 VanDerWaalsContact C-N 3.3Å; L303-L305 PolarHBondContact O-N 3.41Å; L305-E307 VanDerWaalsContact C-N 3.34Å; L305-A309 WeakPolarHBondContact O-CB 3.4Å; L305-A309 PolarHBondContact O-N 3.25Å
306I76.4Confident74.4Confident96 Ų96110.8 Ų110.849%0.49260%0.599SS.*Hα-helixtrans-66.2-40.2174.1-68.6164.1000110.4A302 L303 A309 N310A302-I306 WeakPolarHBondContact O-CD1 3.3Å; A302-I306 VanDerWaalsContact O-CG1 3.27Å; A302-I306 WeakPolarHBondContact O-CG1 3.35Å; A302-I306 PolarHBondContact O-N 3.17Å; A302-I306 VanDerWaalsContact O-N 3.07Å; L303-I306 PolarHBondContact O-N 3.29Å; I306-A309 PolarHBondContact O-N 2.73Å; I306-N310 VanDerWaalsContact O-CG 3.27Å; I306-N310 PolarHBondContact O-N 2.78Å; I306-N310 PolarHBondContact O-ND2 3.08Å
307E71.8Confident74Confident129 Ų129107.8 Ų107.860%0.60360%0.598SS**Hα-helixtrans-69.4-38.2178.6-163.3161.2-163.900112L303 A304 L305 N310 N311L303-E307 WeakPolarHBondContact O-CB 3.41Å; L303-E307 PolarHBondContact O-N 3.32Å; A304-E307 PolarHBondContact O-N 3.41Å; L305-E307 VanDerWaalsContact C-N 3.34Å; E307-N310 PolarHBondContact O-N 3.22Å; E307-N311 PolarHBondContact O-N 2.88Å; E307-N311 VanDerWaalsContact O-N 3.12Å; E307-N311 PolarHBondContact O-ND2 3.08Å
308L73.8Confident73.4Confident104 Ų104107.2 Ų107.255%0.54560%0.601SS.*Hα-helixtrans-64-41.5170.2-76.3165.7000112.2A304 N310 N311 L312A304-L308 WeakPolarHBondContact O-CB 3.48Å; A304-L308 WeakPolarHBondContact O-CG 3.32Å; A304-L308 PolarHBondContact O-N 3.24Å; L308-N310 VanDerWaalsContact C-N 3.32Å; L308-N310 PolarHBondContact O-N 3.4Å; L308-N311 PolarHBondContact O-N 3.09Å; L308-L312 WeakPolarHBondContact O-CD1 3.42Å; L308-L312 WeakPolarHBondContact O-CG 3.44Å; L308-L312 PolarHBondContact O-N 3.5Å
309A71.6Confident72.7Confident60 Ų60103 Ų10350%0.49660%0.597SS.*Hα-helixtrans-65-35.5177.700000112.5L305 I306 L312L305-A309 WeakPolarHBondContact O-CB 3.4Å; L305-A309 PolarHBondContact O-N 3.25Å; I306-A309 PolarHBondContact O-N 2.73Å; A309-L312 PolarHBondContact O-N 2.94Å
310N71.9Confident72Confident118 Ų118102.2 Ų102.263%0.63160%0.597SS**Hα-helixtrans-73.7-29.3176.9-71.2-24.8000113I306 E307 L308 L312I306-N310 VanDerWaalsContact O-CG 3.27Å; I306-N310 PolarHBondContact O-N 2.78Å; I306-N310 PolarHBondContact O-ND2 3.08Å; E307-N310 PolarHBondContact O-N 3.22Å; L308-N310 VanDerWaalsContact C-N 3.32Å; L308-N310 PolarHBondContact O-N 3.4Å; N310-L312 VanDerWaalsContact C-N 3.32Å
311N66.3Low71Confident130 Ų130101.2 Ų101.270%0.69560%0.601SS**Hα-helixtrans-82.2-8.1175.7-74.5-59.5000113.7E307 L308E307-N311 PolarHBondContact O-N 2.88Å; E307-N311 VanDerWaalsContact O-N 3.12Å; E307-N311 PolarHBondContact O-ND2 3.08Å; L308-N311 PolarHBondContact O-N 3.09Å
312L61.3Low69.9Low143 Ų143106.2 Ų106.275%0.74962%0.619SS**THydrogen-bonded Turntrans-100.11.9177.5-77.4163.7000113.5L308 A309 N310 P314L308-L312 WeakPolarHBondContact O-CD1 3.42Å; L308-L312 WeakPolarHBondContact O-CG 3.44Å; L308-L312 PolarHBondContact O-N 3.5Å; A309-L312 PolarHBondContact O-N 2.94Å; N310-L312 VanDerWaalsContact C-N 3.32Å; L312-P314 WeakPolarHBondContact O-CD 3.39Å
313S46.4Very low69.1Low92 Ų92111.3 Ų111.364%0.64364%0.639SS**  trans-92.7114.7170.2-166.30000109.4
314P53.9Low68.1Low190 Ų190111.9 Ų111.9100%1.23465%0.647SS**  trans-670168.129.9-33.2000111.7L312L312-P314 WeakPolarHBondContact O-CD 3.39Å

Retrieved 314 of 314 residues in 165 ms (Link to these results)